SCHEMBL1265079

SCHEMBL1265079

O=[N+]([O-])c1cnc(Cl)nc1NC1CCC(O)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
PIN1 Q13526 10/20 0.50
CDK2 P24941 1/20 0.44
KMT2A Q03164 2/20 0.44
AXL P30530 1/20 0.37
MAPK8 P45983 3/20 0.37
HCAR3 P49019 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK9 P45984 2/20 0.36

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
SCHEMBL14589028 1.00 GSK3A (0.57) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL1265078 1.00 GSK3A (0.57) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL1804937 0.93 PIN1 (0.56) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL27413443 0.88 KMT2A (0.54) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL382894 0.88 KMT2A (0.57) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL8301782 0.86 KMT2A (0.59) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL29175759 0.86 KMT2A (0.59) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL17649495 0.86 PIN1 (0.50) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL19666573 0.86 PIN1 (0.50) GSK3AGSK3BPIN1CDK2KMT2A
SCHEMBL19666470 0.86 PIN1 (0.47) GSK3AGSK3BPIN1CDK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (5 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD GSK3A 1259/4885GSK3B 1036/4885PIN1 736/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 GSK3A 3893/4885GSK3B 3645/4885PIN1 2165/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR GSK3A 1044/4885GSK3B 852/4885PIN1 1488/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD GSK3A 1259/4885GSK3B 1036/4885PIN1 736/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 GSK3A 3893/4885GSK3B 3645/4885PIN1 2165/4885

“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.