SCHEMBL5027581

SCHEMBL5027581

O=C(CN1CCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
AURKA O14965 7/20 0.47
AURKB Q96GD4 5/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
KDR P35968 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT3 P36888 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL5027584 1.00 POLB (0.53) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5030086 0.98 POLB (0.55) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5030089 0.98 POLB (0.55) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5034279 0.97 POLB (0.54) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5034276 0.97 POLB (0.54) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5031228 0.93 AURKA (0.49) POLBPKMAURKAAURKBKDM4E
SCHEMBL4146054 0.93 POLB (0.46) POLBPKMAURKAAURKBALDH1A1
SCHEMBL4146061 0.93 POLB (0.46) POLBPKMAURKAAURKBALDH1A1
SCHEMBL5031220 0.93 AURKA (0.49) POLBPKMAURKAAURKBKDM4E
SCHEMBL4143676 0.92 ATM (0.48) POLBPKMAURKAAURKBALDH1A1

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 4 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
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 (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 POLB 2534/4885PKM 1733/4885AURKA 710/4885

“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.