SCHEMBL4149654

SCHEMBL4149654

CN1CCCN=C1c1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.41
AURKA O14965 5/20 0.41
KDR P35968 6/20 0.35
CHEK1 O14757 10/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAOA P21397 1/20 0.34
PTGS2 P35354 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNA4 P43681 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK4 P11802 4/20 0.34
FGFR1 P11362 3/20 0.34
DYRK1A Q13627 2/20 0.34
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
STK25 O00506 1/20 0.34
CIT O14578 1/20 0.34

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
SCHEMBL4149651 1.00 AURKB (0.41) AURKBAURKAKDRCHEK1NR1I2
SCHEMBL4146619 0.94 AURKB (0.40) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4146614 0.94 AURKB (0.40) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4149508 0.80 MAOA (0.34) AURKBAURKACHEK1NR1I2PGR
SCHEMBL4149514 0.80 MAOA (0.34) AURKBAURKACHEK1NR1I2PGR
SCHEMBL4153011 0.78 AURKA (0.41) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4153005 0.78 AURKA (0.41) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4149267 0.76 NISCH (0.41) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4149269 0.76 NISCH (0.41) AURKBAURKAKDRCHEK1CDK4
SCHEMBL4146874 0.74 AURKA (0.37) AURKBAURKAKDRCHEK1CDK4

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 AURKB 608/4885AURKA 726/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKB 579/4885AURKA 710/4885KDR 1044/4885

“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.