Sugi Predict

Sugi Predict / Compounds / SCHEMBL306934

SCHEMBL306934

SCHEMBL306934

Cc1cc(Br)cc(CC#N)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CSNK2A1 P68400 4/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ MMP3 P08254 1/20 0.30

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
SCHEMBL2262582 0.84 KDM4E (0.43) KDM4ETDP1THRBENPP2MMP3
SCHEMBL1823353 0.84 KDM4E (0.43) KDM4ETDP1THRBALDH1A1ENPP2
SCHEMBL502100 0.84 KDM4E (0.43) KDM4ETDP1CSNK2A1ENPP2MMP3
SCHEMBL8655473 0.84 KDM4E (0.43) KDM4ETDP1CSNK2A1ENPP2MMP3
SCHEMBL21021047 0.78 AKR1C3 (0.40) TACR1MAPK1AKR1C3
SCHEMBL12883530 0.77 KDM4E (0.38) KDM4ETDP1THRBENPP2MMP3
SCHEMBL24150149 0.75 CTSB (0.40) KDM4ETDP1THRBENPP2MMP3
SCHEMBL20576683 0.75 KDM4E (0.37) KDM4ETDP1THRBENPP2MMP3
SCHEMBL10222056 0.75 KDM4E (0.37) KDM4ETDP1THRBENPP2MMP3
SCHEMBL21507689 0.75 ALDH1A1 (0.50) KDM4ETDP1THRBALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461572-B Synthesis of 2- (3-bromo-5-methylphenyl) acetonitrile 江苏慧聚药业股份有限公司 2023-09-19 — — CN claimed
CN-115536596-A Preparation method of ACC007 intermediate 巨鑫生物制药股份有限公司 2022-12-30 — — CN claimed
CN-113461572-A Synthesis of 2- (3-bromo-5-methylphenyl) acetonitrile 江苏慧聚药业有限公司 2021-10-01 — — CN claimed
US-8119800-B2 Processes for preparing HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-02-21 — — US claimed
WO-2009085797-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-07-09 — — WO claimed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 — — US claimed
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
WO-2025050636-A1 MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-03-13 — — WO disclosed
US-12195449-B2 3-[(1H-pyrazol-r-yl)oxy]pyrazin-2-amine compounds as HPK1 inhibitor and use thereof BEIGENE, LTD. (KY) 2025-01-14 — — US disclosed
US-20240317714-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2024-09-26 — — US disclosed
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS AG (CH) 2024-09-05 — — US disclosed
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-08-29 — — US disclosed
CN-117624130-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 — — CN disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 — — WO disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 — — WO disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 — — US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 — — US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 — — US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 — — EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 — — 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 (7 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-20240317714-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 TACR1 3846/4885KDM4E 1979/4885TDP1 1795/4885
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 TACR1 865/4885KDM4E 378/4885TDP1 2742/4885
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF CRBN, GSPT1, GSPT2 TACR1 3606/4885KDM4E 3525/4885TDP1 2212/4885
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 TACR1 3286/4885KDM4E 1845/4885TDP1 1582/4885
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2E, POLR2H TACR1 3179/4885KDM4E 2383/4885TDP1 899/4885
US-12195449-B2 3-[(1H-pyrazol-r-yl)oxy]pyrazin-2-amine compounds as HPK1 inhibitor and use thereof HIPK1, HIPK3, HIPK2 TACR1 3846/4885KDM4E 1979/4885TDP1 1795/4885
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 TACR1 3936/4885KDM4E 1865/4885TDP1 1712/4885

“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.