SCHEMBL2190889

SCHEMBL2190889

Cc1nc(Cl)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.54
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PHGDH O43175 1/20 0.39
TRAP1 Q12931 2/20 0.38
TRPV1 Q8NER1 2/20 0.37
P2RX7 Q99572 2/20 0.36
SRD5A1 P18405 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
NPY5R Q15761 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
SCHEMBL5496957 0.89 CRHR1 (0.43) CRHR1CYP1A2CYP2C19TP53MAPT
SCHEMBL27624988 0.83 CRHR1 (0.52) CRHR1CYP1A2CYP2C19TP53MAPT
SCHEMBL4763636 0.82 CRHR1 (0.56) CRHR1CYP1A2CYP2C19PHGDHSRD5A1
SCHEMBL5100161 0.79 CRHR1 (0.47) CRHR1TP53MAPTSMN1; SMN2PHGDH
SCHEMBL4770391 0.79 CRHR1 (0.53) CRHR1CYP1A2CYP2C19PHGDHP2RX7
SCHEMBL6746234 0.78 CRHR1 (0.57) CRHR1CYP1A2CYP2C19PHGDHTRPV1
SCHEMBL4762012 0.78 CRHR1 (0.52) CRHR1CYP1A2CYP2C19TRPV1SRD5A1
SCHEMBL27624999 0.77 CRHR1 (0.49) CRHR1CYP1A2CYP2C19PHGDHTRPV1
SCHEMBL5487813 0.77 CRHR1 (0.50) CRHR1
SCHEMBL4945689 0.76 CRHR1 (0.55) CRHR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 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
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 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-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN 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
CN-1512883-A CRF receptor antagonists 2004-07-14 CN 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885CYP1A2 1490/4885CYP2C19 602/4885
US-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885CYP1A2 1220/4885CYP2C19 751/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885CYP1A2 454/4885CYP2C19 453/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885CYP1A2 1826/4885CYP2C19 477/4885

“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.