SCHEMBL6738646

SCHEMBL6738646

CCC(c1nc2nn(CC)nc(-c3ccc(OC)cc3Cl)c-2n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.39
CNR1 P21554 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL6739618 0.93 CRHR1 (0.39) CRHR1CNR1CDC7DBF4
SCHEMBL7216594 0.88 CRHR1 (0.42) CRHR1CNR1
SCHEMBL6741034 0.84 CRHR1 (0.39) CRHR1
SCHEMBL6739234 0.80 CRHR1 (0.42) CRHR1CNR1
SCHEMBL6741081 0.74 CRHR1 (0.38) CRHR1CNR1HSP90AA1HSP90AB1CDC7
SCHEMBL6738122 0.73 CRHR1 (0.43) CRHR1CNR1
SCHEMBL6732894 0.70 CRHR1 (0.37) CRHR1
SCHEMBL7075525 0.69 CNR1 (0.39) CRHR1CNR1
SCHEMBL6740512 0.69 CRHR1 (0.40) CRHR1CNR1
SCHEMBL6739967 0.67 CRHR1 (0.41) CRHR1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists GILLIGAN PAUL JOSEPH (US) 2004-02-05 US disclosed
US-6579876-B2 Imidazo(4,5-d)pyridazines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-17 US disclosed
US-6521636-B1 Treatment of psychiatric disorders and neurological diseases BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
US-6365589-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-02 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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885CNR1 86/4885HSP90AA1 2619/4885

“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.