SCHEMBL12326829

SCHEMBL12326829

Cc1ccc(C(F)(F)F)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.59
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL409108 0.84 AR (0.74) AR
SCHEMBL12180588 0.82 AR (0.43) AR
SCHEMBL20455595 0.80 AR (0.42) AR
SCHEMBL29890778 0.80 AR (0.42) AR
SCHEMBL325632 0.78 AR (0.50) ARSLC22A12
SCHEMBL29421468 0.78 AR (0.50) ARSLC22A12
SCHEMBL5203682 0.78 KIF11 (0.53) ARSLC22A12
SCHEMBL1996176 0.78 AR (0.53) ARSLC22A12
SCHEMBL22722421 0.76 TRPV4 (0.52) ARSLC22A12
SCHEMBL663706 0.76 AR (0.43) ARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-23 US disclosed
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2020-04-23 US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 US disclosed
WO-2019078620-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 US disclosed
EP-1966202-B1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2011-09-21 EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
CN-101717350-A Method for synthesizing aryl cyanide in aqueous solution NANJING UNIVERSITY OF TECHNOLOGY 2010-06-02 CN disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
CN-100528876-C Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
CN-1964973-A Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-16 CN disclosed
CN-1134936-A Herbicidal (1,2,4) thiadiazoles AMERICAN CYANAMID CO (US) 1996-11-06 CN 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 (8 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 AR 3732/4885SLC22A12 839/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 AR 1534/4885SLC22A12 967/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 AR 2489/4885SLC22A12 4617/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AR 3947/4885SLC22A12 4603/4885
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 AR 1534/4885SLC22A12 967/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 AR 3666/4885SLC22A12 3821/4885
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME C1S, CBR3, CCNL2 AR 292/4885SLC22A12 4289/4885
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 AR 471/4885SLC22A12 2583/4885

“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.