SCHEMBL435130

SCHEMBL435130

Cc1cc2cccnc2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.65
ATAD2 Q6PL18 1/20 0.56
BRD4 O60885 2/20 0.53
AURKA O14965 1/20 0.47
PARP1 P09874 1/20 0.47
RIPK1 Q13546 10/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 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
SCHEMBL29756947 1.00 DAO (0.65) DAOATAD2BRD4AURKAPARP1
SCHEMBL22185856 0.79 DAO (0.61) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL15528142 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL21226786 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL1574005 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL3714541 0.79 DAO (1.00) DAOAURKAPARP1RIPK1
SCHEMBL668758 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL671495 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL4316781 0.78 DAO (0.59) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL17131587 0.78 DAO (0.59) DAOAURKAPARP1RIPK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF DREXEL UNIVERSITY 2015-01-08 US disclosed
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF DREXEL UNIVERSITY 2015-01-08 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-1978966-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE Amira Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO 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 (6 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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B DAO 207/4885ATAD2 2848/4885BRD4 2095/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 DAO 4439/4885ATAD2 4005/4885BRD4 1726/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 DAO 4497/4885ATAD2 3698/4885BRD4 1525/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 DAO 727/4885ATAD2 3278/4885BRD4 66/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 DAO 4439/4885ATAD2 4005/4885BRD4 1726/4885
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF PIK3R5, PIK3R4, PIK3CD DAO 4314/4885ATAD2 2023/4885BRD4 2323/4885

“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.