SCHEMBL1778261

SCHEMBL1778261

COc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.57
HTR2B P41595 4/20 0.54
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 1/20 0.54
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
HTR1A P08908 2/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
HTR4 Q13639 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51

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
SCHEMBL5327318 0.88 ALDH1A1 (0.52) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL578915 0.87 IMPDH2 (0.59) GPR84ALDH1A1IMPDH2IMPDH1HTR2A
SCHEMBL6087078 0.82 PFKFB2 (0.50) IMPDH2IMPDH1PFKFB2PFKFB1PFKFB3
SCHEMBL11175077 0.80 KDM4E (0.44) CYP1A2ALDH1A1CYP2C19IMPDH2MAPT
SCHEMBL6086627 0.80 PFKFB2 (0.59) ALDH1A1IMPDH2IMPDH1CYP2D6HTR1D
SCHEMBL2736715 0.80 PFKFB2 (0.50) IMPDH2IMPDH1CYP2D6PFKFB2PFKFB1
SCHEMBL6087313 0.78 PFKFB2 (0.61) IMPDH2IMPDH1HTR1DHTR1BTRPM8
SCHEMBL1897142 0.78 CDK4 (0.56) ALDH1A1IMPDH2HTR2AMAPTHTR6
SCHEMBL13302306 0.78 HTR6 (0.53) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL30605506 0.78 CDK4 (0.56) ALDH1A1IMPDH2HTR2AMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064918-A1 FIRST-IN-CLASS PHOSPHO-BRD4 INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-03-27 WO disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
US-20020115700-A1 Substituted indole compounds and methods of their use CHIN ALLISON C (US) 2002-08-22 US disclosed
US-6372742-B1 TELOMERASE ENZYME INHIBITORS AND ANTICANCER AGENTS GERON CORPORATION 2002-04-16 US disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
EP-1109808-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002394-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER GERON CORPORATION (US) 2001-01-11 WO disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 EP 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 (4 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-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 GPR84 1660/4885HTR2B 2305/4885CYP1A2 1351/4885
US-20020115700-A1 Substituted indole compounds and methods of their use TERT, INMT, POT1 GPR84 3930/4885HTR2B 1784/4885CYP1A2 2578/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GPR84 3174/4885HTR2B 2303/4885CYP1A2 621/4885
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GPR84 4409/4885HTR2B 4734/4885CYP1A2 1917/4885

“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.