SCHEMBL171602

SCHEMBL171602

Cc1ccc(C#N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.54
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
VCAM1 P19320 1/20 0.44
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL30924148 1.00 AR (0.54) ARCYP3A4ALDH1A1CYP2A6VCAM1
Ammonia Solution, Strong SCHEMBL3948132 0.92 AR (0.49) ARCYP3A4ALDH1A1CYP2A6VCAM1
SCHEMBL12508141 0.84 KIF11 (0.46) ARCYP3A4ALDH1A1CYP2A6HSD11B1
SCHEMBL31263963 0.84 KIF11 (0.46) ARCYP3A4ALDH1A1CYP2A6HSD11B1
SCHEMBL410305 0.82 AR (0.54) ARALDH1A1CYP2A6VCAM1PDK1
SCHEMBL825866 0.78 VCAM1 (0.53) ARCYP3A4ALDH1A1CYP2A6VCAM1
SCHEMBL1436903 0.78 CYP2A6 (0.52) ARALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL29814587 0.78 CYP2A6 (0.52) ARALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL11235345 0.77 CYP3A4 (0.46) ARCYP3A4RAPGEF4MAPT
SCHEMBL16962134 0.77 CYP3A4 (0.46) ARCYP3A4USP2HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
WO-2024105234-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN UNIVERSITAT DE BARCELONA (ES) 2024-05-23 WO disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-4355179-A Radioactive nuclide labeled propiophenone compounds BURROUGHS WELLCOME CO. (US) 1982-10-19 US disclosed
US-4347177-A Compounds and methods of making them BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347382-A 3H Labeled compounds BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347178-A Compounds and methods of making BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347176-A Compounds and methods of making same BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
EP-0038071-A2 New unlabelled and radioactive labelled derivatives of butylamino propiophenone, their preparation, immunogens obtained from the unlabelled derivatives and a process for immunogen preparation, antisera raised using the immunogens and a method for raising antisera, a radioimmunoassay method and a test kit for use in the assay method THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 EP disclosed
US-4226783-A OF SIDE CHAINS OF ELECTRONEGATIVELY SUBSTITUTED AROMATIC COMPOUNDS WITH DICHLORINE MONOXIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-07 US disclosed
US-4217301-A Cyano-substituted stilbene compounds CIBA-GEIGY CORPORATION (US) 1980-08-12 US disclosed
US-4097515-A Process for the manufacture of cyano-substituted stilbene compounds CIBA-GEIGY CORPORATION (US) 1978-06-27 US disclosed
US-4008224-A OPTICAL BRIGHTENER CIBA-GEIGY CORPORATION (US) 1977-02-15 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-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 AR 3435/4885CYP3A4 4773/4885ALDH1A1 4554/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 AR 397/4885CYP3A4 478/4885ALDH1A1 1338/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT AR 3671/4885CYP3A4 859/4885ALDH1A1 592/4885

“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.