SCHEMBL1265338

SCHEMBL1265338

O=[N+]([O-])c1cnc(Cl)nc1NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
PRKCQ Q04759 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
BCL6 P41182 1/20 0.48
BCOR Q6W2J9 1/20 0.48
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45
RAD52 P43351 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3971786 0.87 PIN1 (0.65) PIN1HTTSMN1; SMN2POLBPRKCQ
SCHEMBL1264794 0.84 POLB (0.56) CDK5CDK5R1ALDH1A1HTTSMN1; SMN2
SCHEMBL3854087 0.81 PRKCQ (0.54) PIN1PRKCQ
SCHEMBL3394316 0.81 PIN1 (0.48) PIN1PRKCQ
SCHEMBL2274362 0.80 PIN1 (0.58) PIN1CDK5PRKCQ
SCHEMBL1917607 0.79 PIN1 (0.57) PIN1CDK5CDK5R1ALDH1A1PRKCQ
SCHEMBL7256637 0.78 USP1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL657472 0.78 KDM4C (0.53) ALDH1A1HTTSMN1; SMN2POLBMEN1
SCHEMBL13310291 0.78 KDM4C (0.53) ALDH1A1HTTSMN1; SMN2POLBKDM4C
SCHEMBL14841617 0.78 PIN1 (0.62) PIN1PRKCQKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
CN-101595110-A Be used for immunosuppressant 7-substituted purin derivatives PHARMACOPEIA INC (US) 2009-12-02 CN disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
CN-101203516-A Purine and imidazopyridine derivatives for immunosuppression PHARMACOPEIA INC (US) 2008-06-18 CN disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP 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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 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 (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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 PIN1 4591/4885CDK5 1111/4885CDK5R1 1057/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 PIN1 2165/4885CDK5 1285/4885CDK5R1 1167/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PIN1 2165/4885CDK5 1285/4885CDK5R1 1167/4885

“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.