SCHEMBL290236

SCHEMBL290236

Cc1cc(Br)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
S1PR1 P21453 9/20 0.39
S1PR3 Q99500 8/20 0.39
S1PR4 O95977 3/20 0.39
MCL1 Q07820 1/20 0.38
S1PR2 O95136 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
PYCR1 P32322 1/20 0.36

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
SCHEMBL290322 0.82 TSHR (0.48) TSHRMAOBMAOANOS3NOS1
SCHEMBL29825887 0.82 TSHR (0.48) TSHRMAOBMAOANOS3NOS1
SCHEMBL29175249 0.79 BIRC5 (0.39) TSHRMAOBMAOANOS3NOS1
SCHEMBL30475151 0.78 MAOB (0.61) MAOBMAOANOS3NOS1NOS2
SCHEMBL1395661 0.78 MAOB (0.61) MAOBMAOANOS3NOS1NOS2
SCHEMBL8404526 0.78 CYP2A6 (0.42) TSHRMAOBMAOANOS3NOS1
SCHEMBL5158400 0.77 SIGMAR1 (0.36) PYCR1
SCHEMBL2022697 0.77 PYCR1 (0.43) PYCR1
SCHEMBL119203 0.77 TSHR (0.50) TSHRS1PR1EGLN2
SCHEMBL277588 0.76 TSHR (0.52) TSHREGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805107-B n-alpha arylation method of nitrogen-containing heterocycle realized by photocatalysis 哈尔滨工业大学(深圳) 2024-03-26 CN claimed
CN-115160134-B Preparation method of 4-bromo-2-methyl benzoate 无锡科华生物科技有限公司 2023-10-10 CN claimed
CN-115160134-A Preparation method of 4-bromo-2-methyl benzoate 无锡科华生物科技有限公司 2022-10-11 CN claimed
EP-4720065-A1 PRMT5 INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-04-08 EP disclosed
CN-121627548-A Synthesis method of 4-bromo-2-fluoro-6-methylbenzonitrile 上海毕得医药科技股份有限公司 2026-03-10 CN disclosed
EP-4051680-B1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2025-09-03 EP disclosed
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-08-19 US disclosed
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2025-07-24 US disclosed
EP-3782994-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2025-07-16 EP disclosed
US-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 US disclosed
CN-119823097-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2025-04-15 CN disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
EP-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
WO-1997030970-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1997-08-28 WO disclosed
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 WO disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
US-4269834-A Copper complexes of isoquinazolines NAUTA WIJBE T 1981-05-26 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 (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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA TSHR 3834/4885MAOB 2161/4885MAOA 2052/4885
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase ABL1, CDK1, CDK2 TSHR 3078/4885MAOB 379/4885MAOA 1048/4885
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 TSHR 4360/4885MAOB 3595/4885MAOA 3099/4885

“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.