SCHEMBL4097958

SCHEMBL4097958

CCN(c1nc(-c2ccccc2COC)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
METAP2 P50579 1/20 0.33
CRHR1 P34998 2/20 0.31
NLRP3 Q96P20 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL4107196 0.89 RXFP1 (0.38) TRPA1CRHR1
SCHEMBL4106287 0.88 SMN1; SMN2 (0.35) TRPA1CRHR1
SCHEMBL4107183 0.88 CRHR1 (0.35) TRPA1METAP2CRHR1
SCHEMBL4095952 0.87 CRHR1 (0.41) TRPA1CRHR1
SCHEMBL4102310 0.86 CRHR1 (0.33) TRPA1METAP2CRHR1
SCHEMBL4100749 0.86 METAP2 (0.36) TRPA1METAP2CRHR1
SCHEMBL4090336 0.86 TRPA1 (0.38) TRPA1METAP2CRHR1NLRP3
SCHEMBL4090274 0.86 TRPA1 (0.37) TRPA1METAP2CRHR1
SCHEMBL4101998 0.86 HPGD (0.35) TRPA1METAP2CRHR1NLRP3
SCHEMBL4102524 0.85 CRHR1 (0.33) TRPA1METAP2CRHR1NLRP3

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 688/4885METAP2 955/4885CRHR1 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.