SCHEMBL4435653

SCHEMBL4435653

Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(OC(F)(F)F)cc1C)CC2

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.83

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
SCHEMBL4439051 0.90 CRHR1 (0.82) CRHR1
SCHEMBL5571412 0.86 CRHR1 (0.82) CRHR1
SCHEMBL5573248 0.85 CRHR1 (0.60) CRHR1
SCHEMBL5571426 0.83 CRHR1 (0.82) CRHR1
SCHEMBL4443170 0.82 CRHR1 (0.82) CRHR1
SCHEMBL5572010 0.82 CRHR1 (0.81) CRHR1
SCHEMBL5571796 0.82 CRHR1 (0.81) CRHR1
SCHEMBL4436255 0.82 CRHR1 (0.80) CRHR1
SCHEMBL27590260 0.81 CRHR1 (0.80) CRHR1
SCHEMBL5252276 0.81 CRHR1 (0.82) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023757-A1 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2009-01-22 US claimed
US-20070219232-A1 Chemical Compounds GLAXO GROUP LIMITED 2007-09-20 US claimed
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US claimed
EP-1425280-B1 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LTD (GB) 2006-08-30 EP claimed
US-20040171607-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-09-02 US claimed
US-20090023757-A1 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2009-01-22 US disclosed
EP-1869039-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB Pharmco Puerto Rico Inc. (PR) 2007-12-26 EP disclosed
US-20070219232-A1 Chemical Compounds GLAXO GROUP LIMITED 2007-09-20 US disclosed
US-7253284-B2 Chemical compounds GIAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1583531-B1 HETEROARYL-SUBSTITUTED PYRROLO[2, 3- B]PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO INC (US) 2007-04-18 EP disclosed
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US disclosed
WO-2006108689-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB PHARMCO PUERTO RICO INC (US) 2006-10-19 WO disclosed
EP-1695974-A1 1,8-Naphthyridines as CRF antagonists GLAXO GROUP LIMITED (GB) 2006-08-30 EP disclosed
EP-1425280-B1 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LTD (GB) 2006-08-30 EP disclosed
US-20040171607-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-09-02 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 (4 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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885
US-20040171607-A1 Chemical compounds CBR3, CBR1, CYP2B6 CRHR1 52/4885
US-20070219232-A1 Chemical Compounds CBR3, CBR1, HCAR3 CRHR1 30/4885
US-20090023757-A1 PROCESS FOR PREPARING BICYCLIC COMPOUNDS CRH, CRHR1, CRHR2 CRHR1 2/4885

“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.