SCHEMBL5489065

SCHEMBL5489065

Cc1nc2c(c(-n3ccnc3C)n1)CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.47
KCNH2 Q12809 1/20 0.42
ROCK1 Q13464 1/20 0.38
SRD5A1 P18405 1/20 0.34
PHGDH O43175 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
F10 P00742 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL2193222 0.81 CRHR1 (0.49) CRHR1ROCK1SRD5A1PHGDHMEN1
SCHEMBL5494959 0.80 CRHR1 (0.47) CRHR1ROCK1SRD5A1MEN1KMT2A
SCHEMBL5496966 0.78 CRHR1 (0.55) CRHR1
SCHEMBL5494360 0.76 CRHR1 (0.48) CRHR1
SCHEMBL3282113 0.76 CRHR1 (0.45) CRHR1ROCK1
SCHEMBL5494384 0.75 CRHR1 (0.49) CRHR1KCNH2
SCHEMBL5487797 0.74 CRHR1 (0.49) CRHR1
SCHEMBL4941771 0.74 CRHR1 (0.61) CRHR1
SCHEMBL2190917 0.73 CRHR1 (0.54) CRHR1ROCK1SRD5A1PHGDH
SCHEMBL5489117 0.73 CRHR1 (0.46) CRHR1ROCK1

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 2/4885KCNH2 4483/4885ROCK1 4101/4885

“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.