SCHEMBL3342653

SCHEMBL3342653

CCc1ccc(-c2ccnn(C)c2=O)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MKNK1 Q9BUB5 5/20 0.36
MKNK2 Q9HBH9 5/20 0.36
P2RX7 Q99572 1/20 0.36
CDC7 O00311 1/20 0.36
JAK2 O60674 7/20 0.35
JAK1 P23458 7/20 0.35
CHUK O15111 1/20 0.35
TYK2 P29597 6/20 0.34
JAK3 P52333 1/20 0.33
P2RX3 P56373 1/20 0.33
MTOR P42345 1/20 0.33
AR P10275 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
SCHEMBL3342461 0.86 P2RX7 (0.43) ITGA4ITGB7MKNK1MKNK2P2RX7
SCHEMBL3344631 0.84 P2RX7 (0.40) ITGA4ITGB7MKNK1MKNK2P2RX7
SCHEMBL3342657 0.83 ITGA4 (0.38) ITGA4ITGB7P2RX7
SCHEMBL3348215 0.77 PIK3R2 (0.38) ITGA4ITGB7MKNK1MKNK2P2RX7
SCHEMBL6526034 0.75 RAB9A (0.41) MKNK1MKNK2P2RX7CDC7JAK2
SCHEMBL3343187 0.73 P2RX7 (0.47) ITGA4ITGB7MKNK1MKNK2P2RX7
SCHEMBL9903611 0.73 SIRT3 (0.39) JAK1TYK2JAK3
SCHEMBL1226389 0.71 P2RX7 (0.41) ITGA4ITGB7P2RX7
SCHEMBL30542171 0.70 ITGA4 (0.42) ITGA4ITGB7P2RX7
SCHEMBL27754183 0.70 ITGA4 (0.44) ITGA4ITGB7P2RX7

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 ITGA4 2788/4885ITGB7 4065/4885MKNK1 2405/4885

“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.