SCHEMBL826534

SCHEMBL826534

CC(C)(C#N)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
SRD5A2 P31213 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
EPHX2 P34913 1/20 0.39
KMO O15229 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
SCHEMBL2192282 0.83 ALDH1A1 (0.49) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL23715060 0.82 HSP90AA1 (0.43) TSHRALDH1A1KMT2ASMN1; SMN2HSP90AA1
SCHEMBL29062117 0.82 HSP90AA1 (0.43) TSHRALDH1A1MAPTKMT2AHSP90AA1
SCHEMBL12305560 0.81 TSHR (0.59) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4207235 0.81 LMNA (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL31401512 0.81 LMNA (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2HSP90AA1
SCHEMBL23704936 0.79 ACE2 (0.43) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4389406 0.78 CA12 (0.56) TSHRALDH1A1MAPT
SCHEMBL14776232 0.75 TSHR (0.61) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL104864 0.75 SRD5A2 (0.55) TSHRALDH1A1KMT2ASMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
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-2358689-B9 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 WO disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 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 (9 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 TSHR 3412/4885ALDH1A1 629/4885MAPT 4337/4885
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 TSHR 2239/4885ALDH1A1 1157/4885MAPT 3535/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 TSHR 2511/4885ALDH1A1 625/4885MAPT 4439/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP TSHR 3688/4885ALDH1A1 528/4885MAPT 4729/4885
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 TSHR 3841/4885ALDH1A1 619/4885MAPT 4484/4885
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 TSHR 116/4885ALDH1A1 2063/4885MAPT 3720/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 TSHR 1974/4885ALDH1A1 1236/4885MAPT 4108/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF TSHR 4042/4885ALDH1A1 1175/4885MAPT 4559/4885
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 TSHR 116/4885ALDH1A1 2063/4885MAPT 3720/4885

“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.