SCHEMBL6081804

SCHEMBL6081804

CCC(Nc1nccc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])C1CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.41
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SOS1 Q07889 1/20 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
SCHEMBL6083517 0.93 CRHR1 (0.41) CRHR1PIK3CAPIK3CBPIK3CGSOS1
SCHEMBL6082084 0.89 CRHR1 (0.38) CRHR1
SCHEMBL6081867 0.89 NPC1 (0.37) SOS1
SCHEMBL6082472 0.86 CRHR1 (0.36) CRHR1
SCHEMBL6082491 0.84 IDO1 (0.37)
SCHEMBL6082059 0.83 SOS1 (0.38) CRHR1SOS1
SCHEMBL6082049 0.83 SOS1 (0.38) CRHR1SOS1
SCHEMBL6082588 0.83 SOS1 (0.38) CRHR1SOS1
SCHEMBL7035168 0.83 CRHR1 (0.44) CRHR1SOS1
SCHEMBL7031206 0.82 PIK3CA (0.39) CRHR1PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed
US-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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 (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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 CRHR1 2/4885PIK3CA 2455/4885PIK3CB 2183/4885
US-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885PIK3CA 2342/4885PIK3CB 2815/4885

“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.