SCHEMBL4091168

SCHEMBL4091168

CCOCc1cc(Cl)c(N(CC)c2nc(-c3c(F)cccc3OC)c3[nH]ncc3n2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL4096420 0.95 MAP4K1 (0.32) APLNRAURKAAURKBMAP4K1
SCHEMBL4091392 0.89 AURKA (0.33) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4103870 0.88 HRH4 (0.34) AURKAAURKBMAP4K1
SCHEMBL4091434 0.85 AURKA (0.36) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4096426 0.85 CRHR1 (0.36) AURKAAURKBMAP4K1
SCHEMBL4107211 0.85 MAP4K1 (0.34) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4107130 0.84 CRHR1 (0.33) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4100984 0.83 AURKA (0.32) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4090148 0.83 AURKA (0.32) AURKAAURKBROCK2ROCK1MAP4K1
SCHEMBL4096030 0.83 AURKA (0.36) AURKAAURKBMAP4K1

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 APLNR 1605/4885AURKA 2870/4885AURKB 3439/4885

“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.