SCHEMBL3343102

SCHEMBL3343102

Cc1cc(F)c(-c2ccnn(C)c2=O)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 3/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
MAP2K1 Q02750 2/20 0.34
MAP2K2 P36507 1/20 0.34
NNMT P40261 1/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CDC7 O00311 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
GRM2 Q14416 3/20 0.33
TYK2 P29597 2/20 0.33

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
SCHEMBL3342204 0.85 SIRT3 (0.37) P2RX7SIRT3TDP1NNMTBRD4
SCHEMBL3343108 0.81 P2RX7 (0.44) P2RX7BRD4
SCHEMBL3342461 0.80 P2RX7 (0.43) P2RX7SIRT3TDP1BRD4BRD9
SCHEMBL3348215 0.79 PIK3R2 (0.38) P2RX7SIRT3TDP1MAP2K1MAP2K2
SCHEMBL3342505 0.78 P2RX7 (0.44) P2RX7MAPK14MAP2K1MAP2K2BRD4
SCHEMBL3344631 0.78 P2RX7 (0.40) P2RX7BRD4CDC7MKNK1MKNK2
SCHEMBL9903611 0.72 SIRT3 (0.39) SIRT3TDP1TYK2
SCHEMBL3342653 0.70 ITGA4 (0.40) P2RX7CDC7MKNK1MKNK2TYK2
SCHEMBL3347938 0.70 MAP2K2 (0.43) MAP2K1MAP2K2BRD4BRD9
SCHEMBL3349238 0.70 BRD4 (0.46) MAP2K1MAP2K2BRD4BRD9

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 P2RX7 8/4885SIRT3 315/4885TDP1 1578/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 P2RX7 2/4885SIRT3 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.