SCHEMBL10037101

SCHEMBL10037101

CCOc1ccc(NC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
TDP1 Q9NUW8 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 3/20 0.53
GAA P10253 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11529872 0.85 TDP1 (0.48) TDP1KMT2AMEN1LMNACYP1A2
SCHEMBL14424036 0.84 NPC1 (0.51) LMNA
SCHEMBL14424034 0.84 CXCL12 (0.50) KMT2AMEN1CYP1A2MAPTGAA
SCHEMBL5624927 0.84 ALDH1A1 (0.69) NQO1TDP1KMT2AMEN1LMNA
SCHEMBL11526401 0.83 TDP1 (0.46) TDP1KMT2AMEN1LMNAMAPT
SCHEMBL11528528 0.82 APP (0.45) TDP1LMNAGAAALDH1A1TSHR
SCHEMBL11531493 0.82 APP (0.45) TDP1LMNAGAAALDH1A1TSHR
SCHEMBL14813058 0.81 ALDH1A1 (0.54) NQO1TDP1KMT2AMEN1LMNA
SCHEMBL14424035 0.81 NPC1 (0.57) GAATSHRL3MBTL1
SCHEMBL11527652 0.79 TDP1 (0.42) TDP1KMT2AMEN1LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM ALLINKY BIOPHARMA (ES) 2017-04-20 US disclosed
US-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM ALLINKY BIOPHARMA (ES) 2017-04-20 US disclosed
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-04-07 US disclosed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
CN-105189477-A Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof BASF SE 2015-12-23 CN disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 WO disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A NQO1 843/4885TDP1 264/4885KMT2A 4505/4885
US-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM MAPK1, MAPK14, MAPK11 NQO1 624/4885TDP1 141/4885KMT2A 2285/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 NQO1 531/4885TDP1 3252/4885KMT2A 3544/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 NQO1 531/4885TDP1 3252/4885KMT2A 3544/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NQO1 1527/4885TDP1 3901/4885KMT2A 4024/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NQO1 1527/4885TDP1 3901/4885KMT2A 4024/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NQO1 1527/4885TDP1 3901/4885KMT2A 4024/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS NQO1 1527/4885TDP1 3901/4885KMT2A 4024/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS NQO1 1527/4885TDP1 3901/4885KMT2A 4024/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 NQO1 531/4885TDP1 3252/4885KMT2A 3544/4885
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF CA3, CA2, CA1 NQO1 365/4885TDP1 4735/4885KMT2A 507/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P NQO1 1153/4885TDP1 885/4885KMT2A 3846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.