SCHEMBL5487816

SCHEMBL5487816

CCCCC(C)Nc1nc(C)nc2c1CCN2c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.53
TRPV1 Q8NER1 9/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PHGDH O43175 1/20 0.33
MELK Q14680 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
SCHEMBL6746234 0.88 CRHR1 (0.57) CRHR1TRPV1HTR1ADRD2HTR2A
SCHEMBL5489958 0.84 CRHR1 (0.55) CRHR1TRPV1HTR1ADRD2HTR2A
SCHEMBL5493014 0.80 CRHR1 (0.51) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL5487814 0.80 CRHR1 (0.53) CRHR1TRPV1HTR1ADRD2HTR2A
SCHEMBL5495067 0.78 CRHR1 (0.51) CRHR1
SCHEMBL5487813 0.76 CRHR1 (0.50) CRHR1
SCHEMBL2190889 0.76 CRHR1 (0.54) CRHR1TRPV1HTR1ADRD2HTR2A
SCHEMBL4763636 0.74 CRHR1 (0.56) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL27624999 0.74 CRHR1 (0.49) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL27624988 0.74 CRHR1 (0.52) CRHR1TRPV1HTR1ADRD2HTR2A

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 2/4885TRPV1 1281/4885HTR1A 60/4885

“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.