SCHEMBL6740201

SCHEMBL6740201

CCc1nc2ccnc(-c3ccc(Cl)cc3Cl)c2n1CCCCOC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRHR1 P34998 13/20 0.42

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
SCHEMBL6740027 0.90 MAPT (0.43) TP53MAPTSMN1; SMN2CRHR1
SCHEMBL6739243 0.88 CNR2 (0.41) TP53MAPTSMN1; SMN2
SCHEMBL6927785 0.67 CRHR1 (0.53) CRHR1
SCHEMBL6814314 0.67
SCHEMBL7032141 0.67 HSP90B1 (0.45) CRHR1
SCHEMBL7038190 0.67
SCHEMBL7028964 0.66 HSP90B1 (0.44) CRHR1
SCHEMBL7032248 0.66 HSP90B1 (0.44) CRHR1
SCHEMBL7035128 0.66
SCHEMBL2867854 0.63 CRHR1 (0.45) MAPTCRHR1

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 7 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-20030055059-A1 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 GILLIGAN PAUL JOSEPH (US) 2003-03-20 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
EP-1091961-A1 IMIDAZO-PYRIDINES, -PYRIDAZINES, AND -TRIAZINES AS CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2000001697-A1 IMIDAZO-PYRIDINES, -PYRIDAZINES, AND -TRIAZINES AS CORTICOTROPIN RELEASING FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 TP53 4735/4885MAPT 3909/4885SMN1; SMN2 3944/4885
US-20030055059-A1 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 CRH, PCNP, CRHR1 TP53 3519/4885MAPT 29/4885SMN1; SMN2 859/4885

“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.