SCHEMBL156695

SCHEMBL156695

O=C1NC(=O)c2cc[c]cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.50
▸ CASP3 P42574 1/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ PPOX P50336 1/20 0.40
▸ PARP1 P09874 3/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAOA P21397 6/20 0.33
▸ MAOB P27338 6/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ PDGFRA P16234 1/20 0.32
▸ FER P16591 1/20 0.32
▸ LTK P29376 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL9799712 0.72 MEN1 (0.36) CASP7CYP3A4MAOALMNAMAPK1
SCHEMBL7148476 0.72 MEN1 (0.43) CASP7CYP3A4TDP1MAOAMAOB
SCHEMBL9027945 0.71 MAOA (0.52) CASP3CASP2CASP7CASP6CASP8
SCHEMBL1501860 0.71 MAOA (0.52) CASP3CASP2CASP7CASP6CASP8
Phthalimide SCHEMBL8983753 0.71 GSK3B (0.94) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL15062680 0.70 — —
SCHEMBL15062522 0.70 — —
SCHEMBL7400922 0.68 CDC25B (0.48) CASP7CYP3A4TDP1MAOAMAOB
SCHEMBL2124760 0.68 CASP3 (0.47) CASP3CASP7MAPK1HSD17B10KDM4E
Phthalimide SCHEMBL11040503 0.68 GSK3B (1.00) GSK3BCASP3CASP2CASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 — — US claimed
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 — — US claimed
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 — — US claimed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 — — US claimed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 — — US claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US claimed
WO-2016112220-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2016-07-14 — — WO claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 — — US claimed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 — — US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 — — WO claimed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 — — WO claimed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 — — EP claimed
EP-0437105-B1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-11-13 — — EP claimed
US-5290921-A Intermediates and colorants having primary hydroxyl enriched poly (oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1994-03-01 — — US claimed
EP-0529162-A1 Colorants and intermediates therefor having branched poly(oxyalkylene)moieties, and their manufacture MILLIKEN RESEARCH CORPORATION (US) 1993-03-03 — — EP claimed
EP-0437105-A1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-07-17 — — EP claimed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 — — US claimed
US-4145341-A WATER-SOLUBLE AZO DYES CONTAINING DIAMINOPYRIMIDINE COUPLER COMPONENTS BASF AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US claimed
US-4052371-A AZO PIGMENT OR DYE HAVING A NAPHTHYL-QUINAZALONE COUPLING COMPONENT BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US claimed

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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 GSK3B 4242/4885CASP3 2200/4885CASP2 1389/4885
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES CBR3, TPD52L2, TNS4 GSK3B 4709/4885CASP3 1020/4885CASP2 2018/4885
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 GSK3B 3577/4885CASP3 3689/4885CASP2 3543/4885
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, NOTUM, WEE1 GSK3B 1080/4885CASP3 2750/4885CASP2 3346/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GSK3B 4550/4885CASP3 488/4885CASP2 1240/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN GSK3B 1025/4885CASP3 1505/4885CASP2 1419/4885
US-10005787-B2 Highly photo-stable bis-triazole fluorophores CBR3, TPD52L2, TNS4 GSK3B 4709/4885CASP3 1020/4885CASP2 2018/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 GSK3B 1080/4885CASP3 2750/4885CASP2 3346/4885

“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.

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