SCHEMBL4095321

SCHEMBL4095321

CCN(c1nc(-c2ccccc2OC2CCOC2)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.31
CHEK1 O14757 1/20 0.31
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 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
SCHEMBL4098145 0.96 RAF1 (0.32) CYP3A4CYP2D6CYP2C19KCNH2GPBAR1
SCHEMBL4096264 0.91 GPBAR1 (0.33) GPBAR1
SCHEMBL4103892 0.91 GPBAR1 (0.35) GPBAR1
SCHEMBL4102190 0.90 GPBAR1 (0.33) GPBAR1
SCHEMBL4098189 0.90 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C19KCNH2CHEK1
SCHEMBL4106287 0.85 SMN1; SMN2 (0.35) CYP3A4CYP2C19GPBAR1
SCHEMBL4091444 0.85 TRPA1 (0.40) GPBAR1
SCHEMBL4096874 0.84 TRPA1 (0.35)
SCHEMBL4090336 0.84 TRPA1 (0.38) CYP3A4CYP2C19
SCHEMBL4090274 0.84 TRPA1 (0.37) GPBAR1

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 CYP3A4 372/4885CYP2D6 369/4885CYP2C19 157/4885

“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.