SCHEMBL5494384

SCHEMBL5494384

Cc1nc2c(c(-n3ccc(-c4ccc(Cl)cc4)n3)n1)CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.49
CNR1 P21554 10/20 0.39
CNR2 P34972 9/20 0.39
ABCC4 O15439 1/20 0.39
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL5494347 0.94 CRHR1 (0.47) CRHR1CNR1CNR2ABCC4MLNR
SCHEMBL5496966 0.87 CRHR1 (0.55) CRHR1CNR1CNR2OPRM1
SCHEMBL4941771 0.83 CRHR1 (0.61) CRHR1
SCHEMBL5487797 0.82 CRHR1 (0.49) CRHR1CNR1
SCHEMBL2191256 0.82 CRHR1 (0.57) CRHR1
SCHEMBL5494129 0.81 CRHR1 (0.47) CRHR1
SCHEMBL5496773 0.80 CRHR1 (0.46) CRHR1CNR1CNR2
SCHEMBL2193222 0.79 CRHR1 (0.49) CRHR1OPRM1
SCHEMBL5494360 0.78 CRHR1 (0.48) CRHR1
SCHEMBL5489117 0.77 CRHR1 (0.46) CRHR1CNR1CNR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US claimed
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-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 (1 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885CNR1 54/4885CNR2 125/4885

“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.