SCHEMBL2193222

SCHEMBL2193222

Cc1nc(Cl)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.49
ROCK1 Q13464 1/20 0.39
OPRM1 P35372 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A1 P18405 2/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
EGFR P00533 2/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
PHGDH O43175 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3282113 0.93 CRHR1 (0.45) CRHR1ROCK1OPRM1HTR1ADRD2
SCHEMBL5494959 0.84 CRHR1 (0.47) CRHR1ROCK1OPRM1HTTSRD5A1
SCHEMBL5496957 0.83 CRHR1 (0.43) CRHR1SMN1; SMN2PHGDHMAPT
SCHEMBL5494360 0.82 CRHR1 (0.48) CRHR1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL5496966 0.82 CRHR1 (0.55) CRHR1OPRM1CACNA2D1CACNA2D2
SCHEMBL2190917 0.82 CRHR1 (0.54) CRHR1ROCK1OPRM1HTTSRD5A1
SCHEMBL4763245 0.82 CRHR1 (0.46) CRHR1HTR1ADRD2
SCHEMBL5489065 0.81 CRHR1 (0.47) CRHR1ROCK1SRD5A1PHGDHMEN1
SCHEMBL5495267 0.81 CRHR1 (0.45) CRHR1ROCK1DRD2HTTSMN1; SMN2
SCHEMBL5495262 0.81 CRHR1 (0.49) 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 8 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
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
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
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

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 2/4885ROCK1 4502/4885OPRM1 44/4885
US-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885ROCK1 3409/4885OPRM1 244/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885ROCK1 4412/4885OPRM1 14/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885ROCK1 4101/4885OPRM1 229/4885

“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.