SCHEMBL5031228

SCHEMBL5031228

CN1CCN(CC(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.49
AURKB Q96GD4 9/20 0.49
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
CYP2C19 P33261 1/20 0.41
FLT3 P36888 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL5031220 1.00 AURKA (0.49) AURKAAURKBPOLBPKMABL1
SCHEMBL5027581 0.93 POLB (0.53) AURKAAURKBPOLBPKMKDM4E
SCHEMBL5027584 0.93 POLB (0.53) AURKAAURKBPOLBPKMKDM4E
SCHEMBL5030086 0.93 POLB (0.55) AURKAAURKBPOLBPKMKDM4E
SCHEMBL5030089 0.93 POLB (0.55) AURKAAURKBPOLBPKMKDM4E
SCHEMBL5034276 0.92 POLB (0.54) AURKAAURKBPOLBPKMKDM4E
SCHEMBL5034279 0.92 POLB (0.54) AURKAAURKBPOLBPKMKDM4E
SCHEMBL4146054 0.91 POLB (0.46) AURKAAURKBPOLBPKMABL1
SCHEMBL4146061 0.91 POLB (0.46) AURKAAURKBPOLBPKMABL1
SCHEMBL4143676 0.90 ATM (0.48) AURKAAURKBPOLBPKMKDM4E

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-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
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 (1 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885POLB 2534/4885

“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.