SCHEMBL6428757

SCHEMBL6428757

CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.43
AURKB Q96GD4 6/20 0.43
KDR P35968 4/20 0.41
CHEK1 O14757 3/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND3 P30281 2/20 0.41
LCK P06239 1/20 0.41
FGFR1 P11362 1/20 0.41
TUBB1 Q9H4B7 6/20 0.38
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP9 P14780 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
SCHEMBL6428537 0.93 AURKA (0.41) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL5032410 0.90 KDR (0.42) AURKAAURKBKDRCHEK1FGFR1
SCHEMBL6426383 0.90 KDR (0.44) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL6427399 0.87 AURKA (0.43) AURKAAURKBKDRCHEK1CDK4
SCHEMBL6427851 0.85 CHEK1 (0.45) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL13927777 0.83 KDR (0.45) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL6426139 0.82 KDR (0.44) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL13927779 0.82 AURKA (0.46) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL4152311 0.81 AURKA (0.49) AURKAAURKBKDRCHEK1CCNA2
SCHEMBL6426165 0.81 AURKA (0.43) AURKAAURKBKDRCHEK1CCNA2

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 3 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 608/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885KDR 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.