SCHEMBL2267714

SCHEMBL2267714

O=C1Nc2ncccc2C1(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GSK3B P49841 2/20 0.38
▸ OTUD7B Q6GQQ9 3/20 0.34
▸ CALCA P06881 2/20 0.34
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ CES1 P23141 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
SCHEMBL13004676 0.83 NPC1 (0.46) NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B
SCHEMBL13478639 0.81 NPC1 (0.39) NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B
SCHEMBL2268820 0.77 PDK2 (0.50) NPC1CYP1A2SMN1; SMN2GSK3BGAA
SCHEMBL31404120 0.77 PDK2 (0.50) NPC1CYP1A2SMN1; SMN2GSK3BGAA
SCHEMBL29506032 0.77 NPC1 (0.41) NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B
SCHEMBL16235885 0.76 CALCA (0.46) NPC1CYP1A2SMN1; SMN2OTUD7BCALCA
Hydrochloric Acid SCHEMBL30775696 0.76 PDK2 (0.48) NPC1CYP1A2SMN1; SMN2GSK3BGAA
SCHEMBL24390000 0.74 NPC1 (0.45) NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B
SCHEMBL1435883 0.73 CALCA (0.41) NPC1CYP1A2SMN1; SMN2CALCAGAA
SCHEMBL15999443 0.73 ALDH1A1 (0.43) NPC1CYP1A2SMN1; SMN2GSK3BCALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 — — US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 — — WO disclosed
EP-1490365-B1 AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES EISAI R&D MAN CO LTD (JP) 2010-02-10 — — EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 — — US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 — — US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 — — US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 — — US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 — — US disclosed
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 — — EP disclosed
US-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer TOPO TARGET A/S (DK) 2007-12-27 — — US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 — — WO disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 — — WO disclosed
EP-0741726-B1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-11-17 — — EP disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 — — WO disclosed
WO-1999021859-A1 AZAOXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-05-06 — — WO disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 — — WO disclosed
US-5719135-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1998-02-17 — — US disclosed
EP-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 — — EP disclosed
WO-1996016964-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A (IT) 1996-06-06 — — WO disclosed
EP-0556060-A1 Biphenyl-substituted quinoline and naphthyridines derivatives as angiotensine II antagonists E.R. SQUIBB & SONS, INC. (US) 1993-08-18 — — 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 (2 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-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer MTOR, RICTOR, CDK4 NPC1 4779/4885CYP1A2 2580/4885SMN1; SMN2 234/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH NPC1 1318/4885CYP1A2 1703/4885SMN1; SMN2 4046/4885

“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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