SCHEMBL5496957

SCHEMBL5496957

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PHGDH O43175 1/20 0.41
TRAP1 Q12931 2/20 0.41
SCN9A Q15858 5/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.37
NOTUM Q6P988 1/20 0.36
METAP1 P53582 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
SCHEMBL2190889 0.89 CRHR1 (0.54) CRHR1CYP1A2CYP2C19PHGDHTRAP1
SCHEMBL2193222 0.83 CRHR1 (0.49) CRHR1PHGDHMAPTSMN1; SMN2
SCHEMBL5489896 0.80 CRHR1 (0.40) CRHR1CYP1A2CYP2C19PHGDHSCN9A
SCHEMBL5489892 0.80 CRHR1 (0.42) CRHR1
SCHEMBL5497563 0.78 CRHR1 (0.46) CRHR1CYP2C19
SCHEMBL5489898 0.78 CRHR1 (0.42) CRHR1CYP1A2CYP2C19PHGDHTRAP1
SCHEMBL5489901 0.78 CRHR1 (0.41) CRHR1CYP1A2CYP2C19PHGDHSCN9A
SCHEMBL5497573 0.78 CRHR1 (0.41) CRHR1CYP1A2CYP2C19PHGDHSCN9A
SCHEMBL6746260 0.78 CRHR1 (0.41) CRHR1CYP1A2CYP2C19PHGDHTRAP1
SCHEMBL3282113 0.77 CRHR1 (0.45) 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 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 2/4885CYP1A2 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.