SCHEMBL5027692

SCHEMBL5027692

COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)c(C(C)=O)c3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.35
APP P05067 1/20 0.34
PIM1 P11309 3/20 0.34
KDR P35968 2/20 0.34
MMP9 P14780 1/20 0.34
MCL1 Q07820 1/20 0.34
CHEK1 O14757 1/20 0.34
LCK P06239 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
TTR P02766 1/20 0.33
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.32
PTPN6 P29350 2/20 0.32
CLK1 P49759 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL5027695 1.00 TUBB1 (0.35) TUBB1APPPIM1KDRMMP9
SCHEMBL4153127 0.91 PIM1 (0.43) TUBB1APPPIM1KDRMMP9
SCHEMBL4153123 0.91 PIM1 (0.43) TUBB1APPPIM1KDRMMP9
SCHEMBL4149548 0.89 TUBB1 (0.43) TUBB1APPPIM1KDRMMP9
SCHEMBL4149543 0.89 TUBB1 (0.43) TUBB1APPPIM1KDRMMP9
SCHEMBL5027604 0.88 NPC1 (0.36) TUBB1MMP9
SCHEMBL5027600 0.88 NPC1 (0.36) TUBB1MMP9
SCHEMBL4137000 0.87 TUBB1 (0.50) TUBB1APPPIM1KDRMMP9
SCHEMBL4136996 0.87 TUBB1 (0.50) TUBB1APPPIM1KDRMMP9
SCHEMBL5030077 0.85 DRD3 (0.38) KDR

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 TUBB1 1202/4885APP 4411/4885PIM1 1528/4885

“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.