SCHEMBL3346946

SCHEMBL3346946

CCn1c(C)nnc1-c1ccc(C)c(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.40
ENPP3 O14638 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
JAK2 O60674 1/20 0.36
EEF2K O00418 1/20 0.36
ADRB2 P07550 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
CDC7 O00311 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
SCHEMBL3344529 0.83 PTGER4 (0.40) ENPP3HSD17B10ALDH1A1KDM4ETDP1
SCHEMBL3348740 0.81 ENPP3 (0.41) SMN1; SMN2KMT2AENPP3ALDH1A1SIRT3
SCHEMBL3348705 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AENPP3CASP1ALDH1A1
SCHEMBL6526034 0.69 RAB9A (0.41) SMN1; SMN2KMT2ACASP1CASP7HSD17B10
SCHEMBL3342181 0.69 CDC7 (0.39) SMN1; SMN2ENPP3HSD17B10ALDH1A1KDM4E
SCHEMBL3342702 0.68 CHUK (0.68) SIRT3TDP1MKNK1MKNK2CDC7
SCHEMBL3347858 0.68 P2RX7 (0.44) ENPP3CASP1SIRT3TDP1MKNK1
SCHEMBL3346118 0.68 SYK (0.40) ENPP3HSD17B10SIRT3TDP1MKNK1
SCHEMBL3343751 0.68 WNT1 (0.39) SMN1; SMN2KMT2AENPP3SIRT3TDP1
SCHEMBL7120106 0.67 IKBKB (0.66) MKNK1MKNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 SMN1; SMN2 2819/4885KMT2A 3250/4885ENPP3 494/4885

“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.