SCHEMBL4733753

SCHEMBL4733753

Cc1c(N)cnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
KDM4E B2RXH2 4/20 0.47
GPR3 P46089 1/20 0.47
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45
MAOA P21397 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
SCHEMBL203711 0.83 LMNA (0.55) NCF1KDM4EGPR3PI4KAPI4K2B
SCHEMBL29742219 0.83 LMNA (0.55) NCF1KDM4EGPR3PI4KAPI4K2B
Ammonia Solution, Strong SCHEMBL6035045 0.81 LMNA (0.53) NCF1KDM4EGPR3PI4KAPI4K2B
SCHEMBL2519637 0.79 KDM4E (0.50) NCF1KDM4EGPR3PI4KAPI4K2B
SCHEMBL3156746 0.78 CCR1 (0.52) KDM4EGPR3CYP1A2TSHRTOP2A
SCHEMBL29661797 0.78 CCR1 (0.52) KDM4EGPR3CYP1A2TSHRTOP2A
SCHEMBL26199339 0.76 PARP1 (0.43) KDM4EALDH1A1SMN1; SMN2MAOAACHE
SCHEMBL5517493 0.75 GPR3 (0.47) NCF1KDM4EGPR3PI4KAPI4K2B
SCHEMBL201997 0.75 MAOA (0.50) NCF1KDM4EGPR3PI4KAPI4K2B
SCHEMBL1191796 0.75 NCF1 (0.50) NCF1KDM4EGPR3PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-9139538-B2 Quinolinyl glucagon receptor modulators PFIZER INC. (US) 2015-09-22 US disclosed
WO-2013014569-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2013-01-31 WO disclosed
WO-2013014569-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2013-01-31 WO disclosed
WO-2011027081-A2 NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 WO disclosed
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP disclosed
US-20070060755-A1 Preparation of 1H-imidazo [4,5-C] quinolin-4-amines via 1H-imidazo [4,5-C] quinolin-4-phthalimide intermediates TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG 2007-03-15 US disclosed
US-20070020642-A1 Structural interaction fingerprint BIOGEN IDEC MA INC. 2007-01-25 US disclosed
US-7166721-B2 Preparation of 1H-imidazo[4,5-C] quinolin 4-amines via novel 1H-imidazo[4,5-c] quinolin 4-cyano and 1H-imidazo[4,5-c] quinolin 4-carboxamide intermediates TEVA Gyógyszergyár Zártkörűen Működő Részvénytársaság (HU) 2007-01-23 US disclosed
US-4778811-A CENTRAL NERVOUS SYSTEM DEPRESSANT EGIS GYOGYSZERGYAR (HU) 1988-10-18 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 (2 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-20070060755-A1 Preparation of 1H-imidazo [4,5-C] quinolin-4-amines via 1H-imidazo [4,5-C] quinolin-4-phthalimide intermediates TLR7, IL4, P2RY4 NCF1 1714/4885KDM4E 220/4885GPR3 1113/4885
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 NCF1 3685/4885KDM4E 4299/4885GPR3 25/4885

“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.