SCHEMBL3344634

SCHEMBL3344634

Cn1nccc(-c2ccc(F)c(N)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.53
P2RX7 Q99572 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
HSD17B10 Q99714 2/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 2/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
MAP4K4 O95819 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL24195784 0.88 BRD4 (0.41) BRD4P2RX7PDE3BPDE3AAURKA
SCHEMBL1226389 0.84 P2RX7 (0.41) BRD4P2RX7PDE3BPDE3AHSD17B10
SCHEMBL3348222 0.83 BRD4 (0.36) BRD4P2RX7PDE3BPDE3AAURKA
SCHEMBL3342657 0.82 ITGA4 (0.38) BRD4P2RX7PDE3BPDE3AAURKA
SCHEMBL3344631 0.81 P2RX7 (0.40) BRD4P2RX7ITGA4ITGB7PIK3CD
SCHEMBL30542171 0.78 ITGA4 (0.42) BRD4P2RX7TDP1ITGA4ITGB7
SCHEMBL3343108 0.75 P2RX7 (0.44) BRD4P2RX7PDE3BPDE3AAURKA
SCHEMBL30104760 0.75 BRD4 (0.62) BRD4P2RX7PDE3BPDE3AHSD17B10
SCHEMBL23206297 0.75 BRD4 (0.62) BRD4P2RX7PDE3BPDE3AHSD17B10
SCHEMBL3342950 0.73 BRD4 (0.43) BRD4P2RX7PDE3BPDE3AHSD17B10

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 BRD4 1409/4885P2RX7 8/4885PDE3B 1330/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 BRD4 1198/4885P2RX7 2/4885PDE3B 1350/4885

“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.