SCHEMBL5495267

SCHEMBL5495267

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.45
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
CNR1 P21554 8/20 0.36
ROCK1 Q13464 1/20 0.36
CNR2 P34972 4/20 0.34
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
PHGDH O43175 1/20 0.33
OPRL1 P41146 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL5488983 0.82 CRHR1 (0.45) CRHR1CNR1
SCHEMBL5492494 0.82 CRHR1 (0.46) CRHR1CNR1CNR2
SCHEMBL2193222 0.81 CRHR1 (0.49) CRHR1HTTSMN1; SMN2ROCK1PHGDH
SCHEMBL5488990 0.81 CRHR1 (0.44) CRHR1CNR1CNR2
SCHEMBL5492348 0.78 CRHR1 (0.43) CRHR1CNR1
SCHEMBL5493196 0.77 CRHR1 (0.44) CRHR1CNR1CNR2
SCHEMBL5493176 0.77 CRHR1 (0.42) CRHR1CNR1CNR2
SCHEMBL5495271 0.76 CRHR1 (0.47) CRHR1HTTSMN1; SMN2ROCK1
SCHEMBL5492499 0.76 CRHR1 (0.47) CRHR1CNR1CNR2HTR7HTR6
SCHEMBL3282113 0.76 CRHR1 (0.45) CRHR1CNR1ROCK1DRD2

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 2 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 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 2/4885HTT 3756/4885SMN1; SMN2 3066/4885

“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.