SCHEMBL5032344

SCHEMBL5032344

CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
MKNK1 Q9BUB5 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR2 P34972 1/20 0.41
MAPK1 P28482 3/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
KDR P35968 1/20 0.38
SCN9A Q15858 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GABRA1 P14867 1/20 0.37

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
SCHEMBL5034342 0.85 MAPK1 (0.51) MAPK1CDK2ROCK2ROCK1GSK3A
SCHEMBL13927653 0.83 CNR1 (0.44) CNR1MKNK1MAPK1MAPKAPK2CDK4
SCHEMBL4334040 0.82 ROCK2 (0.41) CNR1MAPK1CDK4CCNA2CCND1
SCHEMBL6427310 0.82 CNR1 (0.44) CNR1MKNK1MAPK1GSK3AGSK3B
SCHEMBL4328980 0.80 CDK4 (0.49) CNR1MEN1KMT2AMAPK1CDK4
SCHEMBL4157728 0.78 GABRP (0.49) KMT2AMAPK1MAPKAPK2CDK4CCNA2
SCHEMBL4341086 0.77 MAPK1 (0.41) CNR1MAPK1CDK4CCNA2CCND1
SCHEMBL4140548 0.77 PIM1 (0.51) KDR
SCHEMBL4343384 0.76 MAPK1 (0.39) CNR1MAPK1ROCK2ROCK1GABRA5
SCHEMBL4343373 0.76 ROCK2 (0.40) CNR1MAPK1CDK4CCNA2CCND1

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-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 CNR1 189/4885MKNK1 162/4885MEN1 4470/4885

“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.