SCHEMBL6071090

SCHEMBL6071090

CCc1nn2c(-c3ccc(Cl)cc3Cl)cnnc2c1C(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.42
CRH P06850 1/20 0.37
NPC1 O15118 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
SCHEMBL6495917 0.83 NPC1 (0.49) CRHR1NPC1
SCHEMBL6071093 0.79 CRHR1 (0.43) CRHR1NPC1
SCHEMBL7052095 0.78 NPC1 (0.48) CRHR1NPC1
SCHEMBL6496629 0.77 CRHR1 (0.41) CRHR1CRH
SCHEMBL6070464 0.76 CRH (0.59) CRHR1CRH
SCHEMBL7049742 0.76 NPC1 (0.44) CRHR1CRHNPC1
SCHEMBL6497707 0.76 NPC1 (0.44) CRHR1CRHNPC1
SCHEMBL6494394 0.72 NPC1 (0.50) CRHR1NPC1
SCHEMBL6497638 0.72 NPC1 (0.43) CRHR1NPC1
SCHEMBL6505513 0.71 NPC1 (0.51) CRHR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026317-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-04-11 US disclosed
US-6960583-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-20040176376-A1 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-09 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-20040176376-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH CRHR1 1/4885CRH 3/4885NPC1 731/4885

“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.