SCHEMBL4091530

SCHEMBL4091530

CCN(c1nc(-c2c(F)cccc2OC)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.38
GPBAR1 Q8TDU6 6/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
HPGD P15428 1/20 0.32
PTGES O14684 1/20 0.32
DHFR P00374 2/20 0.31
CTSA P10619 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CRHR1 P34998 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
SCHEMBL4105401 0.95 MAPT (0.34) MAP4K1PDE4BMAPTHPGDDHFR
SCHEMBL4096513 0.93 HRH4 (0.35) MAP4K1HPGDNR1H2NR1H3CRHR1
SCHEMBL4095944 0.93 MAP4K1 (0.40) MAP4K1GPBAR1PDE4BDHFRCRHR1
SCHEMBL4101972 0.93 CRHR1 (0.33) PTGESDHFRNR1H2NR1H3CRHR1
SCHEMBL4098134 0.92 MAP4K1 (0.33) MAP4K1HPGDNR1H2NR1H3CRHR1
SCHEMBL4097379 0.92 MAP4K1 (0.39) MAP4K1GPBAR1PDE4BDHFRCTSA
SCHEMBL4097982 0.92 KDM4E (0.33) MAP4K1ROCK2ROCK1MAPTHPGD
SCHEMBL4102485 0.91 CRHR1 (0.33) MAP4K1CRHR1
SCHEMBL4101015 0.91 MAP4K1 (0.32) MAP4K1HPGD
SCHEMBL4098135 0.91 MAP4K1 (0.32) MAP4K1HPGD

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 6 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 claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP claimed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
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 MAP4K1 348/4885GPBAR1 291/4885ROCK2 3506/4885

“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.