SCHEMBL6295022

SCHEMBL6295022

CCCC(CC)Nc1nc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CRHR1 P34998 9/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TLR7 Q9NYK1 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5843803 0.92 CRHR1 (0.38) POLBCRHR1CCNA2CDK2TLR7
SCHEMBL11748160 0.79 DPP4 (0.43) POLB
SCHEMBL11751563 0.76 PGK1 (0.46) POLBCRHR1TLR7ATM
SCHEMBL11677248 0.76 ATM (0.34) POLBCRHR1CCNA2CDK2TLR7
SCHEMBL11676299 0.75 PDE4A (0.38) CRHR1CCNA2CDK2TLR7ATM
SCHEMBL11680185 0.75 MEN1 (0.43) CRHR1CCNA2CDK2TLR7ATM
SCHEMBL9123060 0.74 L3MBTL1 (0.45) CRHR1TLR7
SCHEMBL8801677 0.73 L3MBTL1 (0.41) CRHR1TLR7ATM
SCHEMBL6291599 0.71 CRHR1 (0.51) CRHR1
SCHEMBL7479132 0.71 CRHR1 (0.36) POLBCRHR1TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869955-B2 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-22 US disclosed
EP-1380298-A2 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders, anorexia, inflammation Bristol-Myers Squibb Pharma Company (US) 2004-01-14 EP disclosed
EP-0901374-B1 TETRAHYDROPTERIDINES AND PYRIDYLPIPERAZINES FOR TREATMENT OF NEUROLOGICAL DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-12-10 EP disclosed
US-20030064993-A1 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-04-03 US disclosed
US-6399609-B1 CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-04 US disclosed
US-6083948-A TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-07-04 US 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 (1 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-20030064993-A1 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders CRH, CRHR1, CRHR2 POLB 4512/4885CRHR1 2/4885CCNA2 2308/4885

“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.