SCHEMBL4099101

SCHEMBL4099101

CCN(c1nc(-c2ccccc2OCC#N)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL4090336 0.91 TRPA1 (0.38) TRPA1HPGDKDM4EALDH1A1LMNA
SCHEMBL4102524 0.91 CRHR1 (0.33) TRPA1HPGDKDM4EALDH1A1LMNA
SCHEMBL4097513 0.90 PDE5A (0.35) TRPA1HPGDKDM4EALDH1A1LMNA
SCHEMBL4106287 0.89 SMN1; SMN2 (0.35) TRPA1HPGDKDM4EALDH1A1LMNA
SCHEMBL4096474 0.89 MAP4K1 (0.31) GPBAR1
SCHEMBL4090274 0.88 TRPA1 (0.37) TRPA1HPGDKDM4EPOLBNPSR1
SCHEMBL4091444 0.87 TRPA1 (0.40) TRPA1HPGDGPBAR1
SCHEMBL4090241 0.87 CRHR1 (0.31) TRPA1
SCHEMBL4109936 0.87 TRPA1 (0.37) TRPA1GPBAR1
SCHEMBL4096874 0.87 TRPA1 (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 2 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 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 688/4885HPGD 1017/4885KDM4E 3600/4885

“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.