SCHEMBL944470

SCHEMBL944470

CC(=O)Nc1ncc(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PTK2 Q05397 1/20 0.40
POLB P06746 1/20 0.39
TKT P29401 1/20 0.39
PIK3CA P42336 1/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
CYP2C9 P11712 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14069596 0.80 LMNA (0.45) LMNAL3MBTL1CYP1A2ALDH1A1PTK2
SCHEMBL17963963 0.80 GABRP (0.34) LMNACYP1A2ALDH1A1HTTCYP2C19
SCHEMBL13304496 0.80 ADORA3 (0.46) LMNAL3MBTL1CYP1A2ALDH1A1PTK2
SCHEMBL26970094 0.78 L3MBTL1 (0.42) LMNAL3MBTL1CYP1A2PTK2POLB
SCHEMBL1069160 0.78 L3MBTL1 (0.42) LMNAL3MBTL1CYP1A2PTK2POLB
SCHEMBL11470783 0.78 PTK2 (0.58) LMNAL3MBTL1CYP1A2PTK2POLB
SCHEMBL2275255 0.78 MEN1 (0.43) LMNAL3MBTL1CYP1A2ALDH1A1PTK2
SCHEMBL15184467 0.78 L3MBTL1 (0.42) LMNAL3MBTL1CYP1A2PTK2POLB
SCHEMBL10588098 0.78 L3MBTL1 (0.42) LMNAL3MBTL1CYP1A2ALDH1A1PTK2
Carbamic Acid SCHEMBL17964085 0.77 GABRP (0.32) LMNAALDH1A1PKMKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
CN-111732535-B Photochemical synthesis method of heteroaryl amine compound 天津凯莱英制药有限公司 2021-03-12 CN disclosed
CN-111732535-A Photochemical synthesis method of heteroaryl amine compound 天津凯莱英制药有限公司 2020-10-02 CN disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 US disclosed
WO-2008011080-A2 BENZO(D) ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE AMGEN INC. (US) 2008-01-24 WO disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
US-4173646-A Tricyclicdicarboximides MERCK & CO., INC. (US) 1979-11-06 US disclosed
US-4132799-A TRANQUILIZERS, ANTICONVULSANTS MERCK & CO., INC. (US) 1979-01-02 US disclosed
US-4061763-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4006233-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-02-01 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 (7 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LMNA 2202/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 LMNA 3346/4885L3MBTL1 2773/4885CYP1A2 182/4885
US-20080227779-A1 Heterocyclic compounds and methods of use KIT, TPSG1, CMA1 LMNA 1199/4885L3MBTL1 4555/4885CYP1A2 2255/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LMNA 2202/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 LMNA 2202/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LMNA 2202/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LMNA 2202/4885L3MBTL1 794/4885CYP1A2 4730/4885

“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.