SCHEMBL6425955

SCHEMBL6425955

CC(NC(=O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2s1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.38
PTGER3 P43115 2/20 0.37
SCN9A Q15858 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LIMK1 P53667 1/20 0.36
HPGDS O60760 2/20 0.36
KDR P35968 2/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CA12 O43570 1/20 0.36
RIPK2 O43353 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4149107 0.83 KDR (0.44) ALPLLIMK1KDRCDK4CCNA2
SCHEMBL6429453 0.81 MAPK1 (0.44) CDK2GSK3AGSK3B
SCHEMBL4136943 0.80 CA12 (0.49) ALPLKDRCDK4CCNA2CCND1
SCHEMBL4149069 0.79 KDR (0.49) NPC1RAB9AKDRCCNA2CDK2
SCHEMBL4334282 0.77 SCN9A (0.39) ALPLPTGER3SCN9ALIMK1HPGDS
SCHEMBL4341430 0.75 CDK4 (0.51) ALPLNPC1RAB9AHPGDSKDR
SCHEMBL4339304 0.74 SCN9A (0.39) ALPLPTGER3SCN9AKDRCDK4
SCHEMBL6426048 0.74 HPGD (0.53) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4329101 0.73 CDK4 (0.41) ALPLSCN9AHPGDSKDRCDK4
SCHEMBL4137031 0.72 S1PR5 (0.42) ALPLNPC1RAB9AKDRCDK4

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-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

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 TP53 1057/4885ALPL 3251/4885PTGER3 2414/4885

“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.