SCHEMBL5489898

SCHEMBL5489898

CCCCC(CN)c1nc(C)nc2c1CCN2c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42
MC4R P32245 1/20 0.36
SCN9A Q15858 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PHGDH O43175 1/20 0.33
TRAP1 Q12931 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PAX8 Q06710 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL5487814 0.90 CRHR1 (0.53) CRHR1MC4RCYP1A2CYP2C19PHGDH
SCHEMBL5492499 0.88 CRHR1 (0.47) CRHR1DRD2HTR7HTR6
SCHEMBL5492346 0.84 CRHR1 (0.38) CRHR1MC4RSMN1; SMN2DRD2HTR7
SCHEMBL5493199 0.84 CRHR1 (0.45) CRHR1DRD2HTR7HTR6
SCHEMBL5497565 0.82 CRHR1 (0.38) CRHR1SCN9ACYP1A2CYP2C19PHGDH
SCHEMBL5489901 0.82 CRHR1 (0.41) CRHR1MC4RSCN9ACYP1A2CYP2C19
SCHEMBL6746257 0.81 CRHR1 (0.38) CRHR1SCN9ACYP1A2CYP2C19PHGDH
SCHEMBL5496957 0.78 CRHR1 (0.43) CRHR1SCN9ACYP1A2CYP2C19PHGDH
SCHEMBL5497559 0.77 CRHR1 (0.40) CRHR1SCN9ACYP1A2CYP2C19PHGDH
SCHEMBL5495063 0.76 CRHR1 (0.43) 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 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 2/4885MC4R 43/4885SCN9A 3650/4885

“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.