SCHEMBL4101224

SCHEMBL4101224

CCN(c1nc(-c2c(F)cccc2OC)c2[nH]ncc2n1)c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.35
PDE4B Q07343 1/20 0.34
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
MAP4K1 Q92918 4/20 0.32
RUNX1 Q01196 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
PTGES O14684 1/20 0.30
PTGS1 P23219 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL4097527 0.91 CRHR1 (0.34) CRHR1MAP4K1AURKAAURKB
SCHEMBL4100834 0.91 CRHR1 (0.36) CRHR1PDE4BHCRTR1HCRTR2MAP4K1
SCHEMBL4102631 0.87 MAP4K1 (0.36) CRHR1MAP4K1ROCK2ROCK1AURKA
SCHEMBL4109662 0.86 MAP4K1 (0.33) CRHR1MAP4K1AURKAAURKB
SCHEMBL4096426 0.84 CRHR1 (0.36) CRHR1MAP4K1AURKAAURKBPTGES
SCHEMBL4091392 0.82 AURKA (0.33) CRHR1MAP4K1ROCK2ROCK1AURKA
SCHEMBL4091530 0.82 MAP4K1 (0.38) CRHR1PDE4BMAP4K1ROCK2ROCK1
SCHEMBL4091434 0.82 AURKA (0.36) CRHR1PDE4BMAP4K1ROCK2ROCK1
SCHEMBL4107211 0.81 MAP4K1 (0.34) CRHR1MAP4K1ROCK2ROCK1AURKA
SCHEMBL4096030 0.81 AURKA (0.36) CRHR1PDE4BMAP4K1AURKAAURKB

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 CRHR1 2/4885PDE4B 1164/4885HCRTR1 46/4885

“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.