SCHEMBL3934869

SCHEMBL3934869

CC(C)(C#N)c1cc(F)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.46
SLC6A3 Q01959 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDR P35968 3/20 0.35
PPARA Q07869 2/20 0.35
TPMT P51580 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29448808 1.00 HCAR1 (0.46) HCAR1SLC6A3HCAR2CES2CES1
SCHEMBL3638866 0.88 RXRA (0.42) HCAR1TPMTRXRARXRBRXRG
SCHEMBL30056963 0.83 CES2 (0.48) CES2RXRARXRBRXRGMRGPRX4
SCHEMBL21609834 0.83 CES2 (0.48) CES2RXRARXRBRXRGMRGPRX4
SCHEMBL4388169 0.83 RXRB (0.50) TPMTRXRARXRBRXRGRARB
SCHEMBL4969295 0.83 NOTUM (0.44) SLC6A3KDRL3MBTL1KDM4EALDH1A1
SCHEMBL5007948 0.81 TPMT (0.53) HCAR1HCAR2TPMTRXRARXRB
SCHEMBL5005131 0.81 CA12 (0.50) HCAR1TPMTRXRARXRBRXRG
SCHEMBL17896562 0.80 HCAR1 (0.53) HCAR1SLC6A3HCAR2CES2CES1
SCHEMBL12398885 0.80 NOTUM (0.41) HCAR2TPMTRXRARXRBRXRG

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20080146570-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1924573-A1 B-RAF INHIBITORS AstraZeneca AB (SE) 2008-05-28 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
WO-2006079791-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 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 (5 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HCAR1 3674/4885SLC6A3 3464/4885HCAR2 3931/4885
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS HCAR1 4211/4885SLC6A3 2979/4885HCAR2 4206/4885
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 HCAR1 1703/4885SLC6A3 3767/4885HCAR2 2008/4885
US-20080146570-A1 Chemical Compounds BRAF, RAF1, NRAS HCAR1 3347/4885SLC6A3 3909/4885HCAR2 3263/4885
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 HCAR1 1703/4885SLC6A3 3767/4885HCAR2 2008/4885

“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.