SCHEMBL1622170

SCHEMBL1622170

CCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.67
MKNK1 Q9BUB5 4/20 0.67
MKNK2 Q9HBH9 4/20 0.67
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP19A1 P11511 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KIF11 P52732 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP11B2 P19099 2/20 0.52
CYP11B1 P15538 1/20 0.49
EPHX2 P34913 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL26556365 0.88 CYP11B2 (0.63) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL26553137 0.88 CYP11B2 (0.63) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL16068455 0.85 CYP2A6 (0.62) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL10035328 0.83 MKNK1 (0.53) CYP2A6MKNK1MKNK2CYP3A4CYP19A1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL29360677 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL13907273 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL21442882 0.82 CYP2A6 (0.58) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL12435674 0.82 CYP3A4 (0.64) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
Bromide SCHEMBL29018737 0.82 ALDH1A1 (0.58) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
WO-2023158221-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING ANTICANCER AGENT AND NOVEL COMPOUND HAVING INHIBITORY ACTIVITY WITH RESPECT TO PROSTAGLANDIN E2 RECEPTORS 주식회사 카나프테라퓨틱스 2023-08-24 WO disclosed
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
EP-3377221-B1 A METHOD OF CROSS-COUPLING USING A TRANSITION METAL COMPLEX COMPRISING A PAD3 LIGAND UNIV PRINCETON (US) 2023-07-26 EP disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-09 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3242875-B1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH INC (US) 2022-02-23 EP disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 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 (10 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CYP2A6 3540/4885MKNK1 2421/4885MKNK2 2359/4885
US-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 CYP2A6 580/4885MKNK1 2713/4885MKNK2 3218/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CYP2A6 1651/4885MKNK1 311/4885MKNK2 481/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CYP2A6 4390/4885MKNK1 518/4885MKNK2 597/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 CYP2A6 3496/4885MKNK1 67/4885MKNK2 45/4885
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 CYP2A6 457/4885MKNK1 3446/4885MKNK2 2859/4885
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device EXOC1, NOS1, EXOSC10 CYP2A6 4002/4885MKNK1 3809/4885MKNK2 3754/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 CYP2A6 49/4885MKNK1 4135/4885MKNK2 3685/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 CYP2A6 1415/4885MKNK1 1554/4885MKNK2 1518/4885
US-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES MRPS23, RPP30, RPS19 CYP2A6 3670/4885MKNK1 1761/4885MKNK2 2306/4885

“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.