SCHEMBL3349238

SCHEMBL3349238

Cc1cc(F)c(-c2ccc(=O)n(C)c2)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.46
BRD9 Q9H8M2 1/20 0.46
MAP2K2 P36507 6/20 0.45
MAP2K1 Q02750 6/20 0.45
WDR5 P61964 6/20 0.38
ROCK2 O75116 1/20 0.37
SOS1 Q07889 1/20 0.37

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
SCHEMBL3347938 0.82 MAP2K2 (0.43) BRD4BRD9MAP2K2MAP2K1WDR5
SCHEMBL3349243 0.81 BRD4 (0.45) BRD4SOS1
SCHEMBL15552065 0.74 BRD4 (0.40) BRD4SOS1
SCHEMBL3342505 0.74 P2RX7 (0.44) BRD4BRD9MAP2K2MAP2K1
SCHEMBL3343102 0.70 P2RX7 (0.46) BRD4BRD9MAP2K2MAP2K1
SCHEMBL6523541 0.70 BRD4 (0.43) BRD4SOS1
SCHEMBL24924342 0.69 BRD4 (0.40) BRD4WDR5SOS1
SCHEMBL2182734 0.69 DGAT1 (0.44) MAP2K2MAP2K1ROCK2
SCHEMBL1912411 0.69 NSD2 (0.46) BRD4MAP2K2MAP2K1SOS1
SCHEMBL30853319 0.66 BRD4 (0.37) BRD4

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 1409/4885BRD9 3289/4885MAP2K2 3606/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 BRD4 1198/4885BRD9 2850/4885MAP2K2 2843/4885

“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.