SCHEMBL3288568

SCHEMBL3288568

C=CCc1c(Cl)nc(C)nc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
RXRA P19793 2/20 0.40
NR4A2 P43354 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
NLRP3 Q96P20 1/20 0.38
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL5491121 0.85 LRRK2 (0.37) SMN1; SMN2GAARXRANR4A2L3MBTL1
SCHEMBL2189399 0.82 THRB (0.43) THRBSMN1; SMN2GAALMNAHTT
SCHEMBL5496929 0.77 CRHR1 (0.40) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL5845356 0.76 THRB (0.46) THRBSMN1; SMN2LMNAHTTMEN1
SCHEMBL4769088 0.75 THRB (0.38) THRBSMN1; SMN2LMNAHTTMEN1
SCHEMBL4503972 0.75 LRRK2 (0.38) SMN1; SMN2GAAL3MBTL1MEN1KMT2A
SCHEMBL3270971 0.75 THRB (0.38) THRBSMN1; SMN2LMNAHTTMEN1
SCHEMBL5106936 0.74 THRB (0.36) THRBMEN1KMT2AMAPTPIK3CG
SCHEMBL3277032 0.71 GAA (0.39) SMN1; SMN2GAAL3MBTL1LMNAHTT
SCHEMBL4847932 0.70 RXRA (0.50) SMN1; SMN2RXRANR4A2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP disclosed
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-01-25 US disclosed
US-20050054661-A1 Corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2005-03-10 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
EP-1395591-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
EP-1129091-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2002-10-02 EP disclosed
EP-1129091-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2001-09-05 EP disclosed
WO-2000027846-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2000-05-18 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 (5 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-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR1, NR3C2, CRHR2 THRB 472/4885SMN1; SMN2 3296/4885GAA 4720/4885
US-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R THRB 400/4885SMN1; SMN2 786/4885GAA 2746/4885
US-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 THRB 447/4885SMN1; SMN2 4224/4885GAA 4516/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 THRB 508/4885SMN1; SMN2 3066/4885GAA 2832/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R THRB 400/4885SMN1; SMN2 786/4885GAA 2746/4885

“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.