SCHEMBL4133588

SCHEMBL4133588

Cc1ccc2[nH]ncc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.50
AXL P30530 2/20 0.50
IDO1 P14902 3/20 0.43
METAP2 P50579 4/20 0.41
CSNK2A1 P68400 1/20 0.41
TDO2 P48775 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
DYRK1A Q13627 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TRPA1 O75762 1/20 0.37
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
CCNA2 P20248 1/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL29428710 1.00 NOS1 (0.50) NOS1AXLIDO1METAP2CSNK2A1
Hydrochloric Acid SCHEMBL28520759 0.98 NOS1 (0.48) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL8404436 0.79 IDO1 (0.46) NOS1AXLIDO1METAP2ESR1
SCHEMBL21196238 0.78 IDO1 (0.48) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL5413400 0.76 NOS1 (0.50) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL2005907 0.76 NOS1 (0.55) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL5929682 0.76 IDO1 (0.52) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL767506 0.76 NOS1 (0.55) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL30959690 0.76 NOS1 (0.55) NOS1AXLIDO1METAP2CSNK2A1
SCHEMBL29493856 0.76 NOS1 (0.50) NOS1AXLIDO1METAP2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321510-A Preparation method of 4-bromo-5-methyl-1H-indazole 无锡双启科技有限公司 2021-02-05 CN claimed
CN-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
EP-4216951-B1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-01 EP disclosed
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-03-05 US disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use REPARE THERAPEUTICS INC. (CA) 2025-10-07 US disclosed
WO-2025111513-A1 COMPOUNDS USEFUL IN THE MODULATION OF KLHDC1 AND KLHDC2 ACTIVITY NURIX THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
WO-2025092989-A1 SUBSTITUTED QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMBINATION THEREOF, AND USE THEREOF 泰州红云制药有限公司 2025-05-08 WO disclosed
WO-2025078984-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS KRAS DEGRADERS AURIGENE ONCOLOGY LIMITED (IN) 2025-04-17 WO disclosed
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed
EP-3159335-A2 NOVEL HETEROCYCLIC COMPOUND Daewoong Pharmaceutical Co., Ltd. (KR) 2017-04-26 EP disclosed
US-20170088551-A1 NOVEL HETEROCYCLIC COMPOUND Daewoong Pharmaceutical., Ltd. (KR) 2017-03-30 US disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2266983-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-29 EP disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1940843-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2008-07-09 EP disclosed
WO-2007021937-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2007-02-22 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-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 NOS1 1772/4885AXL 4017/4885IDO1 2051/4885
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS KRAS, NRAS, HRAS NOS1 3015/4885AXL 678/4885IDO1 4151/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 NOS1 1772/4885AXL 4017/4885IDO1 2051/4885
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use PLK1, CSNK1A1, CSNK1G1 NOS1 2399/4885AXL 1425/4885IDO1 2245/4885
US-20170088551-A1 NOVEL HETEROCYCLIC COMPOUND AARS1, TARBP1, NSUN3 NOS1 1598/4885AXL 4840/4885IDO1 4017/4885

“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.