SCHEMBL3345159

SCHEMBL3345159

Cc1[c]cc2c(c1)c(C(N)=O)nn2CCO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
PARP1 P09874 1/20 0.34
ELANE P08246 2/20 0.33
CFD P00746 10/20 0.32
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK8 P45983 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
AURKA O14965 1/20 0.30

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
SCHEMBL3343370 0.85 CCNA2 (0.34) CCNA2CDK2CCNA1PARP1ELANE
SCHEMBL3346147 0.81 RAB9A (0.39) CFDMAPK8
SCHEMBL3341780 0.81 NPSR1 (0.39) CFD
SCHEMBL3343808 0.81 CNR1 (0.31)
SCHEMBL2932380 0.73 PARP1 (0.40) CCNA2CDK2CCNA1PARP1ELANE
SCHEMBL3342625 0.72 ICMT (0.41) PIM2
SCHEMBL3341415 0.72 GAA (0.33)
SCHEMBL3345732 0.68 BRD4 (0.34) CCNA2CDK2CCNA1ELANEADORA2A
SCHEMBL3342270 0.68 HSD17B10 (0.36) AURKA
SCHEMBL3339362 0.66 KDM4E (0.37)

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 CCNA2 2406/4885CDK2 1342/4885CCNA1 2324/4885

“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.