SCHEMBL3342848

SCHEMBL3342848

Cc1ccc(-c2ccc[nH]c2=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CHEK1 O14757 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
IKBKB O14920 4/20 0.39
MCL1 Q07820 1/20 0.39
TYK2 P29597 1/20 0.39
BRD4 O60885 2/20 0.38
CHUK O15111 2/20 0.38
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BCAT2 O15382 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
BTK Q06187 1/20 0.36
CSNK1A1 P48729 1/20 0.36

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
SCHEMBL3342855 0.80 LMNA (0.48) NPC1RAB9AATMERAP1CHEK1
SCHEMBL27855216 0.78 NAPRT (0.39) NPC1RAB9AATMERAP1NAPRT
SCHEMBL3344611 0.78 BTK (0.46) IKBKBCHUKMAPK14MKNK1MKNK2
SCHEMBL3346057 0.77 BRD4 (0.42) CHEK1IKBKBMCL1BRD4MKNK1
SCHEMBL1971648 0.77 KDM4E (0.46) BRD4ALDH1A1KDM4E
SCHEMBL15536207 0.76 TYK2 (0.54) CHEK1NAPRTIKBKBTYK2CHUK
SCHEMBL15730172 0.73 MKNK2 (0.64) NPC1RAB9AALDH1A1MKNK1MKNK2
SCHEMBL7120106 0.73 IKBKB (0.66) IKBKBMCL1BRD4CHUKMKNK1
SCHEMBL3910409 0.72 ACMSD (0.41) CHEK1IKBKBBTK
SCHEMBL12987176 0.72 TNKS (0.44) NPC1RAB9AATMERAP1NAPRT

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 NPC1 1906/4885RAB9A 1850/4885ATM 3639/4885

“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.