SCHEMBL4096078

SCHEMBL4096078

CCN(c1nc(-c2cccc(F)c2OC)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CRHR1 P34998 1/20 0.31
DHFR P00374 1/20 0.31
MAP4K1 Q92918 1/20 0.30
P2RX7 Q99572 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
SCHEMBL4102274 0.94 NLRP3 (0.33) NR1H2NR1H3CRHR1P2RX7
SCHEMBL4091287 0.91 METAP2 (0.32)
SCHEMBL4090200 0.90 GPBAR1 (0.34) GPBAR1
SCHEMBL4106287 0.88 SMN1; SMN2 (0.35) GPBAR1CRHR1DHFR
SCHEMBL4101972 0.87 CRHR1 (0.33) NR1H2NR1H3CRHR1DHFR
SCHEMBL4091530 0.87 MAP4K1 (0.38) GPBAR1ROCK2ROCK1NR1H2NR1H3
SCHEMBL4107196 0.86 RXFP1 (0.38) GPBAR1NR1H2NR1H3CRHR1DHFR
SCHEMBL4107183 0.86 CRHR1 (0.35) GPBAR1NR1H2NR1H3CRHR1DHFR
SCHEMBL4101998 0.85 HPGD (0.35) NR1H2NR1H3CRHR1DHFR
SCHEMBL4105401 0.85 MAPT (0.34) NR1H2NR1H3CRHR1DHFRMAP4K1

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 GPBAR1 291/4885ROCK2 3506/4885ROCK1 3539/4885

“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.