SCHEMBL1697887

SCHEMBL1697887

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.68
CYP2C9 P11712 5/20 0.65
RAF1 P04049 2/20 0.54
YES1 P07947 1/20 0.54

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
Hydrochloric Acid SCHEMBL1697863 0.99 BRAF (0.67) BRAFCYP2C9RAF1YES1
SCHEMBL14819854 0.89 BRAF (0.69) BRAFCYP2C9RAF1YES1
SCHEMBL5000900 0.87 BRAF (0.63) BRAFCYP2C9
SCHEMBL1697968 0.87 BRAF (0.59) BRAFCYP2C9
SCHEMBL5004766 0.87 BRAF (0.59) BRAFCYP2C9
SCHEMBL2196658 0.87 BRAF (0.66) BRAFCYP2C9RAF1YES1
SCHEMBL13736827 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL1697994 0.86 BRAF (0.74) BRAFCYP2C9RAF1YES1
SCHEMBL1698068 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL26075589 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
EP-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 CN disclosed
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-24 US disclosed
US-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-10-03 US disclosed
EP-3412670-A1 PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2018-12-12 EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006079791-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 WO disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 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 (3 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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP BRAF 680/4885CYP2C9 123/4885RAF1 2041/4885
US-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof BRAF, KDR, RAF1 BRAF 1/4885CYP2C9 1638/4885RAF1 3/4885
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof BRAF, KDR, RAF1 BRAF 1/4885CYP2C9 1638/4885RAF1 3/4885

“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.