SCHEMBL4137009

SCHEMBL4137009

O=C(Cc1cccnc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.58
AURKB Q96GD4 5/20 0.47
GAA P10253 1/20 0.42
KDR P35968 2/20 0.42
CHEK1 O14757 1/20 0.41
PARP14 Q460N5 1/20 0.41
PSMB8 P28062 2/20 0.41
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
PLK1 P53350 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
SCHEMBL4137016 1.00 AURKA (0.58) AURKAAURKBGAAKDRCHEK1
SCHEMBL4149451 0.89 AURKA (0.60) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4149448 0.89 AURKA (0.60) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL5031152 0.86 AURKA (0.46) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL5031141 0.86 AURKA (0.46) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4150561 0.84 KDR (0.54) AURKAGAAKDRCHEK1
SCHEMBL4150555 0.84 KDR (0.54) AURKAGAAKDRCHEK1
SCHEMBL4143692 0.83 AURKA (0.55) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4143688 0.83 AURKA (0.55) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4152214 0.83 AURKA (0.55) AURKAAURKBKDRCHEK1CSF1R

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 608/4885GAA 4511/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885GAA 4714/4885

“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.