SCHEMBL4152145

SCHEMBL4152145

COc1c(C#N)ccc2[nH]nc(/C=C/c3ccccc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CHEK1 O14757 2/20 0.41
CDK4 P11802 2/20 0.41
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CDK2 P24941 2/20 0.41
CCND3 P30281 2/20 0.41
CDK1 P06493 1/20 0.41
NFE2L2 Q16236 7/20 0.40
RELA Q04206 1/20 0.38
SLC6A3 Q01959 2/20 0.33
MAP2K1 Q02750 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CYP2C8 P10632 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
SCHEMBL4152147 1.00 AURKA (0.42) AURKAAURKBCHEK1CDK4CCNA2
SCHEMBL4144782 0.86 AURKA (0.38) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4144780 0.86 AURKA (0.38) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4137897 0.84 AURKA (0.49) AURKAAURKBCHEK1CDK4CCNA2
SCHEMBL4137894 0.84 AURKA (0.49) AURKAAURKBCHEK1CDK4CCNA2
SCHEMBL4146096 0.82 AURKA (0.43) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4146102 0.82 AURKA (0.43) AURKAAURKBNFE2L2PSEN1PSEN2
SCHEMBL4149024 0.81 AURKA (0.43) AURKAAURKBMAP2K1KDM4E
SCHEMBL4146279 0.81 NTRK1 (0.42) AURKAAURKBCHEK1CDK2SLC6A3
SCHEMBL4146275 0.81 NTRK1 (0.42) AURKAAURKBCHEK1CDK2SLC6A3

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 9 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 608/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885CHEK1 657/4885

“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.