SCHEMBL4151404

SCHEMBL4151404

COc1c(C#N)ccc2[nH]nc(C=Cc3cccnc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
AURKB Q96GD4 1/20 0.46
CHEK1 O14757 2/20 0.39
KIF20A O95235 4/20 0.38
DYRK1A Q13627 3/20 0.38
CLK1 P49759 2/20 0.38
SRC P12931 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP1A1 P04798 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP1B1 Q16678 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TTK P33981 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 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
SCHEMBL4151398 1.00 AURKA (0.46) AURKAAURKBCHEK1KIF20ADYRK1A
SCHEMBL4137897 0.88 AURKA (0.49) AURKAAURKBCHEK1TTKCDK1
SCHEMBL4137894 0.88 AURKA (0.49) AURKAAURKBCHEK1TTKCDK1
SCHEMBL4153211 0.82 AURKB (0.46) AURKAAURKBCHEK1CYP1A2NPC1
SCHEMBL4153216 0.82 AURKB (0.46) AURKAAURKBCHEK1CYP1A2NPC1
SCHEMBL4139391 0.82 AURKA (0.52) AURKAAURKBCHEK1CDK1CDK4
SCHEMBL4139395 0.82 AURKA (0.52) AURKAAURKBCHEK1CDK1CDK4
SCHEMBL4146096 0.81 AURKA (0.43) AURKAAURKBTTK
SCHEMBL4146102 0.81 AURKA (0.43) AURKAAURKBTTK
SCHEMBL4149123 0.81 AURKA (0.47) AURKAAURKBDYRK1ACYP11B1CYP11B2

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 608/4885CHEK1 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.