SCHEMBL4091434

SCHEMBL4091434

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.36
AURKB Q96GD4 3/20 0.36
GABRA1 P14867 2/20 0.36
PLK4 O00444 1/20 0.36
PDPK1 O15530 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.36
GNAI2 P04899 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
HCK P08631 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FER P16591 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL4096030 0.94 AURKA (0.36) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4107211 0.92 MAP4K1 (0.34) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4096426 0.92 CRHR1 (0.36) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4091392 0.90 AURKA (0.33) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4097527 0.90 CRHR1 (0.34) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4097941 0.90 CRHR1 (0.34) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4091530 0.90 MAP4K1 (0.38) AURKAAURKBCRHR1MAP4K1ROCK2
SCHEMBL4090476 0.89 CRHR1 (0.33) AURKAAURKBGABRA1PLK4PDPK1
SCHEMBL4100834 0.89 CRHR1 (0.36) AURKAAURKBCRHR1MAP4K1ROCK2
SCHEMBL4102631 0.88 MAP4K1 (0.36) AURKAAURKBGABRA1PLK4PDPK1

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 AURKA 2870/4885AURKB 3439/4885GABRA1 440/4885

“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.