SCHEMBL3348740

SCHEMBL3348740

Cc1ccc(-c2nnc(C)n2C)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.36
NNMT P40261 1/20 0.36
CHUK O15111 1/20 0.36
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 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
SCHEMBL3346946 0.81 SMN1; SMN2 (0.41) ENPP3SIRT3TDP1MKNK1MKNK2
SCHEMBL3344529 0.79 PTGER4 (0.40) ENPP3TDP1MAPK1BRD4ALDH1A1
SCHEMBL3348705 0.78 SMN1; SMN2 (0.44) ENPP3SIRT3TDP1MKNK1MKNK2
SCHEMBL22728137 0.78 MAP4K4 (0.51) MKNK1MKNK2SMN1; SMN2BRD4BRD9
SCHEMBL3348744 0.76 TSHR (0.50) TDP1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3343751 0.74 WNT1 (0.39) ENPP3SIRT3TDP1MKNK1MKNK2
SCHEMBL3346118 0.74 SYK (0.40) ENPP3SIRT3TDP1MKNK1MKNK2
SCHEMBL3346669 0.73 MKNK1 (0.53) SIRT3TDP1MKNK1MKNK2KMT2A
SCHEMBL14804396 0.72 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3342117 0.72 PDE4D (0.39) ENPP3SIRT3TDP1MKNK1MKNK2

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-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 ENPP3 494/4885SIRT3 315/4885TDP1 1578/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ENPP3 1038/4885SIRT3 684/4885TDP1 1510/4885

“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.