SCHEMBL4137897

SCHEMBL4137897

COc1c(C#N)ccc2[nH]nc(C=Cc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
CHEK1 O14757 9/20 0.42
KDM5A P29375 1/20 0.40
KDR P35968 7/20 0.40
FGFR1 P11362 1/20 0.40
PRKCQ Q04759 2/20 0.39
PRKCD Q05655 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL4137894 1.00 AURKA (0.49) AURKAAURKBCHEK1KDM5AKDR
SCHEMBL4153211 0.89 AURKB (0.46) AURKAAURKBCHEK1KDM5AKDR
SCHEMBL4153216 0.89 AURKB (0.46) AURKAAURKBCHEK1KDM5AKDR
SCHEMBL4146102 0.88 AURKA (0.43) AURKAAURKBKDM5ATTK
SCHEMBL4146096 0.88 AURKA (0.43) AURKAAURKBKDM5ATTK
SCHEMBL4151404 0.88 AURKA (0.46) AURKAAURKBCHEK1KDRCDK1
SCHEMBL4151398 0.88 AURKA (0.46) AURKAAURKBCHEK1KDRCDK1
SCHEMBL4139395 0.87 AURKA (0.52) AURKAAURKBCHEK1CDK1CDK4
SCHEMBL4139391 0.87 AURKA (0.52) AURKAAURKBCHEK1CDK1CDK4
SCHEMBL4161483 0.85 AURKA (0.41) AURKAAURKBTTK

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.