SCHEMBL10120033

SCHEMBL10120033

CC(C)(C)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CLK4 Q9HAZ1 1/20 0.52
XDH P47989 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRB2 P07550 1/20 0.47
TRPV1 Q8NER1 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL19940392 0.85 KIF11 (0.51) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL29337585 0.83 AKT1 (0.49) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL12173600 0.82 NPC1 (0.53) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL3875835 0.80 TRPV1 (0.76) TRPV1
SCHEMBL14062481 0.80 NPC1 (0.54) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL7759101 0.80 KIF11 (0.54) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL14062424 0.80 KIF11 (0.54) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL6685962 0.80 CLK4 (0.64) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL17701519 0.79 KIF11 (0.48) KIF11KDM4EALDH1A1KMT2ANPC1
SCHEMBL1773246 0.78 NPC1 (0.50) KIF11KDM4EALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
CN-107880031-B Compound with aza-benzene as core and application thereof in organic electroluminescent device 中节能万润股份有限公司 2021-03-02 CN disclosed
CN-107880028-B Compound with aza-benzene as core and organic electroluminescent device 中节能万润股份有限公司 2021-03-02 CN disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 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 (10 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 KIF11 2463/4885KDM4E 1101/4885ALDH1A1 1598/4885
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 KIF11 3878/4885KDM4E 552/4885ALDH1A1 2948/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KIF11 3370/4885KDM4E 18/4885ALDH1A1 839/4885
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 KIF11 2068/4885KDM4E 996/4885ALDH1A1 927/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 KIF11 4033/4885KDM4E 2120/4885ALDH1A1 2613/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 KIF11 2463/4885KDM4E 1101/4885ALDH1A1 1598/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 KIF11 2627/4885KDM4E 1086/4885ALDH1A1 1601/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 KIF11 2819/4885KDM4E 620/4885ALDH1A1 2634/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 KIF11 2463/4885KDM4E 1101/4885ALDH1A1 1598/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KIF11 4433/4885KDM4E 2909/4885ALDH1A1 3814/4885

“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.