SCHEMBL4096874

SCHEMBL4096874

CCN(c1nc(-c2ccccc2OC(F)F)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.35
EPAS1 Q99814 1/20 0.33
CRHR1 P34998 5/20 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
SCHEMBL4090241 0.94 CRHR1 (0.31) TRPA1CRHR1
SCHEMBL4109936 0.94 TRPA1 (0.37) TRPA1CRHR1
SCHEMBL4106287 0.91 SMN1; SMN2 (0.35) TRPA1CRHR1
SCHEMBL4090336 0.90 TRPA1 (0.38) TRPA1CRHR1
SCHEMBL4090274 0.90 TRPA1 (0.37) TRPA1CRHR1
SCHEMBL4102524 0.89 CRHR1 (0.33) TRPA1CRHR1
SCHEMBL4097513 0.89 PDE5A (0.35) TRPA1CRHR1
SCHEMBL4107196 0.88 RXFP1 (0.38) TRPA1EPAS1CRHR1
SCHEMBL4096264 0.88 GPBAR1 (0.33) TRPA1
SCHEMBL4103892 0.88 GPBAR1 (0.35) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP claimed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 TRPA1 688/4885EPAS1 1728/4885CRHR1 2/4885

“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.