SCHEMBL5489896

SCHEMBL5489896

CCCCNCCc1nc(C)nc2c1CCN2c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
SCN9A Q15858 5/20 0.36
PHGDH O43175 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA2 P47869 4/20 0.33
GABRB2 P47870 4/20 0.33
MC4R P32245 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GABRB3 P28472 1/20 0.32
SCN5A Q14524 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL5492494 0.88 CRHR1 (0.46) CRHR1
SCHEMBL5492341 0.83 CRHR1 (0.37) CRHR1MC4R
SCHEMBL5493196 0.83 CRHR1 (0.44) CRHR1
SCHEMBL5489901 0.82 CRHR1 (0.41) CRHR1SCN9APHGDHCYP1A2CYP2C19
SCHEMBL5496957 0.80 CRHR1 (0.43) CRHR1SCN9APHGDHCYP1A2CYP2C19
SCHEMBL27624999 0.79 CRHR1 (0.49) CRHR1PHGDHCYP1A2CYP2C19TRPV1
SCHEMBL5489892 0.78 CRHR1 (0.42) CRHR1
SCHEMBL5489898 0.76 CRHR1 (0.42) CRHR1SCN9APHGDHCYP1A2CYP2C19
SCHEMBL5497559 0.75 CRHR1 (0.40) CRHR1SCN9APHGDHCYP1A2CYP2C19
SCHEMBL5497563 0.73 CRHR1 (0.46) CRHR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885SCN9A 3650/4885PHGDH 3017/4885

“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.