SCHEMBL477780

SCHEMBL477780

[O-][n+]1cc(CCl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CXCR2 P25025 1/20 0.34
GPR84 Q9NQS5 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL12911312 0.80 CA2 (0.42) CA2CXCR2L3MBTL1
SCHEMBL15695537 0.75 ALDH1A1 (0.39) CXCR2
SCHEMBL8897967 0.75 CXCR2 (0.32) CXCR2
SCHEMBL3195088 0.72 HRH3 (0.47) L3MBTL1
SCHEMBL4063051 0.71 HRH3 (0.57) L3MBTL1
SCHEMBL2223779 0.71 IDH1 (0.35) CA1CA2GPR84L3MBTL1
SCHEMBL29724961 0.70
SCHEMBL4062448 0.70 PYCR1 (0.47)
SCHEMBL3183618 0.70 HRH3 (0.60) L3MBTL1
SCHEMBL13009655 0.69 CYP4F2 (0.47) CXCR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411379-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-12-17 EP disclosed
US-8703934-B2 Substituted 4-amino-3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-22 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2194058-B1 Pyrazolopyrimidines suitable for the treatment of cancer diseases MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-8318793-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO. KG (DE) 2012-11-27 US disclosed
US-8318793-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO. KG (DE) 2012-11-27 US disclosed
CN-102388034-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2012-03-21 CN disclosed
EP-2411379-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbott GmbH & Co. KG (DE) 2012-02-01 EP disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1537116-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-06-08 EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-10-21 US disclosed
WO-2004022561-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2004-03-18 WO disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed
US-5302605-A 3-Nitromethylidene- or nitroiminoimidazolidin-1-yl-alkylidene derivatives; insecticides; aphidicides; miticides; environmentally safe CIBA-GEIGY CORPORATION (US) 1994-04-12 US disclosed
CN-1059907-A PICOLINE OXIDES CIBA GEIGY AG (CH) 1992-04-01 CN 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-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 CA1 4268/4885CA2 3390/4885CXCR2 2062/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CA1 2464/4885CA2 2609/4885CXCR2 1093/4885

“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.