SCHEMBL4097941

SCHEMBL4097941

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
MAP4K1 Q92918 3/20 0.31
ROCK2 O75116 2/20 0.30
ROCK1 Q13464 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PLK4 O00444 1/20 0.30
PDPK1 O15530 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
NTRK1 P04629 1/20 0.30
GNAI2 P04899 1/20 0.30
LCK P06239 1/20 0.30
RET P07949 1/20 0.30
HCK P08631 1/20 0.30
ROS1 P08922 1/20 0.30
FGFR1 P11362 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
SCHEMBL4091434 0.90 AURKA (0.36) CRHR1AURKAAURKBMAP4K1ROCK2
SCHEMBL4107211 0.89 MAP4K1 (0.34) CRHR1AURKAAURKBMAP4K1ROCK2
SCHEMBL4096426 0.89 CRHR1 (0.36) CRHR1AURKAAURKBMAP4K1PLK4
SCHEMBL4091392 0.88 AURKA (0.33) CRHR1AURKAAURKBMAP4K1ROCK2
SCHEMBL4091530 0.87 MAP4K1 (0.38) CRHR1AURKAAURKBMAP4K1ROCK2
SCHEMBL4090476 0.86 CRHR1 (0.33) CRHR1AURKAAURKBMAP4K1PLK4
SCHEMBL4096030 0.86 AURKA (0.36) CRHR1AURKAAURKBMAP4K1PLK4
SCHEMBL4100834 0.86 CRHR1 (0.36) CRHR1AURKAAURKBMAP4K1ROCK2
SCHEMBL4103870 0.85 HRH4 (0.34) AURKAAURKBMAP4K1PLK4PDPK1
SCHEMBL4097527 0.84 CRHR1 (0.34) CRHR1AURKAAURKBMAP4K1PLK4

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 2/4885AURKA 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.