SCHEMBL658962

SCHEMBL658962

O=C1Cc2ncc(Cl)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
CMA1 P23946 1/20 0.53
GSK3B P49841 6/20 0.43
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
GSK3A P49840 3/20 0.43
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
PLK1 P53350 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.37

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
SCHEMBL16823586 0.84 AHR (0.43) AHRCMA1GSK3BCDK5CDK5R1
SCHEMBL659190 0.78 AHR (0.37) AHRCMA1GSK3BCDK5CDK5R1
SCHEMBL659787 0.78 RAB9A (0.40) AHRCMA1GSK3BGSK3A
SCHEMBL660464 0.78 AHR (0.49) AHRCMA1GSK3BCDK5CDK5R1
SCHEMBL13617978 0.78 AHR (0.37) AHRCMA1GSK3BCDK5GSK3A
SCHEMBL15332656 0.75 AHR (0.35) AHRCMA1GSK3BCDK5GSK3A
SCHEMBL5502802 0.74 MAPT (0.43) GSK3BCDK5CDK5R1GSK3AMAPT
SCHEMBL30104080 0.74 HTT (0.42) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL16563482 0.71 AHR (0.39) AHRCMA1GSK3BCDK5CDK5R1
SCHEMBL23143552 0.71 PDE3B (0.56) AHRCMA1GSK3BCDK5GSK3A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
WO-2012015693-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-02-02 WO disclosed
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 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 (3 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 AHR 958/4885CMA1 4268/4885GSK3B 829/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 AHR 335/4885CMA1 3250/4885GSK3B 1645/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 AHR 1232/4885CMA1 4653/4885GSK3B 696/4885

“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.