SCHEMBL3342946

SCHEMBL3342946

NC(=O)c1cc(-c2ccn[nH]c2=O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.43
CHUK O15111 4/20 0.41
IKBKB O14920 3/20 0.41
P2RX7 Q99572 2/20 0.41
PARP1 P09874 2/20 0.41
NOTUM Q6P988 1/20 0.39
CDC7 O00311 3/20 0.38
CASP1 P29466 1/20 0.36
DGAT1 O75907 1/20 0.36
MAP2 P11137 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
IKBKE Q14164 1/20 0.35
PKMYT1 Q99640 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
SCHEMBL3344611 0.84 BTK (0.46) BTKCHUKIKBKBP2RX7CDC7
SCHEMBL3340308 0.83 BTK (0.38) BTKCHUKIKBKBP2RX7NOTUM
SCHEMBL3342950 0.80 BRD4 (0.43) P2RX7PARP1NOTUMCASP1IDO1
SCHEMBL3344631 0.76 P2RX7 (0.40) CHUKIKBKBP2RX7CDC7CASP1
SCHEMBL14955413 0.72 NOTUM (0.43) P2RX7NOTUMIDO1
SCHEMBL15730739 0.72 MKNK1 (0.40) CHUKIKBKBCDC7CASP1ALOX5AP
SCHEMBL17151369 0.72 SCN4A (0.46) BTKP2RX7NOTUMCDC7IDO1
SCHEMBL1210909 0.71 HCAR2 (0.42) BTKPARP1CDC7DGAT1
SCHEMBL3386608 0.71 CHUK (0.68) CHUKIKBKBCDC7CASP1IKBKE
Hydrochloric Acid SCHEMBL30015576 0.71 SCN4A (0.45) BTKP2RX7NOTUMCDC7IDO1

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 BTK 3512/4885CHUK 1510/4885IKBKB 2102/4885

“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.