SCHEMBL4146102

SCHEMBL4146102

COc1c(C#N)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
NFE2L2 Q16236 4/20 0.38
NQO2 P16083 1/20 0.36
TTK P33981 1/20 0.36
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.33
NTRK1 P04629 1/20 0.32

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
SCHEMBL4146096 1.00 AURKA (0.43) AURKAAURKBNFE2L2NQO2TTK
SCHEMBL4153216 0.89 AURKB (0.46) AURKAAURKBNFE2L2TTKGAA
SCHEMBL4153211 0.89 AURKB (0.46) AURKAAURKBNFE2L2TTKGAA
SCHEMBL4137894 0.88 AURKA (0.49) AURKAAURKBTTKKDM5A
SCHEMBL4137897 0.88 AURKA (0.49) AURKAAURKBTTKKDM5A
SCHEMBL4161488 0.88 AURKA (0.41) AURKAAURKBNFE2L2TTKPSEN1
SCHEMBL4161483 0.88 AURKA (0.41) AURKAAURKBNFE2L2TTKPSEN1
SCHEMBL4139395 0.87 AURKA (0.52) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4139391 0.87 AURKA (0.52) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4152145 0.82 AURKA (0.42) AURKAAURKBNFE2L2PSEN1PSEN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B AURKA 726/4885AURKB 608/4885NFE2L2 434/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885NFE2L2 413/4885

“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.