SCHEMBL3342270

SCHEMBL3342270

Cc1[c]cc2c(c1)cc(C(N)=O)n2CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 4/20 0.34
CCR2 P41597 1/20 0.32
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
F10 P00742 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL3345890 0.84 MCL1 (0.33) HSD17B10MCL1CCR2F10JAK2
SCHEMBL3339358 0.81 GPR35 (0.39) HSD17B10MCL1CSNK1A1CLK4ALDH1A1
SCHEMBL3342600 0.79 MCL1 (0.36) MCL1AURKACSF1RRETLTK
SCHEMBL3341415 0.74 GAA (0.33) HSD17B10ALDH1A1LMNAGAA
SCHEMBL3345959 0.74 GAA (0.47) HSD17B10ALDH1A1LMNAGAACNR2
SCHEMBL3342625 0.69 ICMT (0.41) ALDH1A1CNR2
SCHEMBL26597106 0.68 POLB (0.52) CCR2KMT2A
SCHEMBL1100626 0.66 ACACB (0.36) MCL1KMT2A
SCHEMBL27695373 0.64 CNR2 (0.62) MCL1CCR2ALDH1A1F10PLA2G10
SCHEMBL3435894 0.63 CCR2 (0.41) MCL1CCR2CDK8LMNAF10

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 5 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 claimed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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 (2 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 HSD17B10 4633/4885MCL1 2825/4885CCR2 765/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HSD17B10 4507/4885MCL1 2482/4885CCR2 387/4885

“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.