SCHEMBL3346060

SCHEMBL3346060

Cc1ccc(-c2cccn(C)c2=O)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.43
P2RX7 Q99572 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CASP1 P29466 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL24195926 0.88 ALDH1A1 (0.48) BRD4P2RX7TSHRHRH3ITGB1
SCHEMBL30104760 0.83 BRD4 (0.62) BRD4P2RX7LMNAHRH3MAPT
SCHEMBL23206297 0.83 BRD4 (0.62) BRD4P2RX7LMNAHRH3MAPT
SCHEMBL13241223 0.80 BRD4 (0.48) BRD4P2RX7HRH3ALDH1A1PDE3B
SCHEMBL3346057 0.80 BRD4 (0.42) BRD4P2RX7LMNATSHRHRH3
Hydrochloric Acid SCHEMBL2997477 0.79 BRD4 (0.47) BRD4P2RX7HRH3ALDH1A1PDE3B
SCHEMBL26240869 0.78 CHEK1 (0.46) BRD4TSHRHRH3ITGB1ITGA4
SCHEMBL3342511 0.76 BRD4 (0.48) BRD4P2RX7MAPTALDH1A1KDM4E
SCHEMBL19857684 0.76 BRD4 (0.72) BRD4
SCHEMBL29613205 0.76 BRD4 (0.72) 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 1409/4885P2RX7 8/4885LMNA 2330/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 BRD4 1198/4885P2RX7 2/4885LMNA 2432/4885

“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.