SCHEMBL746643

SCHEMBL746643

C#Cc1cncc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1413482 0.83 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL24628901 0.82 CYP2C19 (0.62) ATMALDH1A1CA12CA1CA2
SCHEMBL30963866 0.82 CYP2C19 (0.62) ATMALDH1A1CA12CA1CA2
SCHEMBL23012593 0.81 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL56951 0.81 ATM (0.77) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL18680588 0.80 GLRA3 (0.59) ATMGLRA3GLRBALDH1A1KDM4E
SCHEMBL2065024 0.80 GLRA3 (0.59) GLRA3GLRBALDH1A1KDM4ECA12
Hydrochloric Acid SCHEMBL2298745 0.79 ATM (0.74) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL3347538 0.79 ATM (0.58) ATMGLRA3GLRBALDH1A1CYP2A6
SCHEMBL20500079 0.78 HCAR2 (0.52) ALDH1A1CYP2A6KDM4EMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260194-B Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2023-07-07 CN disclosed
CN-115260194-A Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2022-11-01 CN disclosed
CN-104892502-A Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG 2015-09-09 CN disclosed
CN-102803217-B Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2015-06-17 CN disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 WO disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP disclosed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO 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 (4 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-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ATM 4081/4885GLRA3 4327/4885GLRB 4136/4885
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885GLRA3 3431/4885GLRB 3309/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885GLRA3 3431/4885GLRB 3309/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ATM 4081/4885GLRA3 4327/4885GLRB 4136/4885

“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.