SCHEMBL5206955

SCHEMBL5206955

Cc1cc(Cl)c2ccnc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.62
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL5210888 0.88 CRHR1 (0.48) CRHR1HSP90AA1HSP90AB1MAPTNPC1
SCHEMBL5207986 0.82 CRHR1 (0.44) CRHR1HSP90AA1MAPTL3MBTL1
SCHEMBL5246749 0.77 CRHR1 (1.00) CRHR1HSP90AA1HSP90AB1MAPTL3MBTL1
SCHEMBL5209663 0.75 MAPT (0.44) CRHR1HSP90AA1MAPTL3MBTL1
SCHEMBL19953463 0.75 MAPT (0.53) CRHR1HSP90AA1MAPTL3MBTL1
SCHEMBL6345878 0.75 DHODH (0.41)
SCHEMBL3364325 0.70 NPC1 (0.42) CRHR1NPC1
SCHEMBL6834931 0.70 CRHR1 (0.69) CRHR1
SCHEMBL461099 0.70 MAPT (0.69) CRHR1MAPTL3MBTL1
SCHEMBL5209552 0.70 HSD11B1 (0.46) CRHR1HSP90AA1HSP90AB1MAPTNPC1

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
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 EP disclosed
US-6974808-B2 CRF receptor antagonists and methods relating thereto BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-13 US disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6747034-B2 CORTICOTROPIN-RELEASING FACTOR (CRF); SUCH AS 4-CHLORO-2-METHYL-5-NITRO-8-(2,4-DICHLORO)PHENYL-1,7-NAPHTHYRIDINE FOR TREATING STROKE, ANXIETY, DEPRESSION, AND/OR IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2004-06-08 US disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US disclosed
US-20020049207-A1 CRF receptor antagonists and methods relating thereto BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-25 US disclosed
US-6352990-B1 A METHOD OF TREATING ANXIETY AND DEPRESSION IN A WARM-BLOODED ANIMAL AND TREATMENT OF STROKES BRISTOL-MYERS SQUIBB COMPANY 2002-03-05 US disclosed
EP-0970082-A2 BIAZACYCLIC CRF ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-01-12 EP disclosed
WO-1998035967-A2 BIAZACYCLIC CRF ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-20 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 (3 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885HSP90AA1 491/4885HSP90AB1 661/4885
US-20020049207-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885HSP90AA1 491/4885HSP90AB1 661/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885HSP90AA1 491/4885HSP90AB1 661/4885

“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.