SCHEMBL2099737

SCHEMBL2099737

COCCn1nc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.57
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TACR3 P29371 1/20 0.35
MAPT P10636 1/20 0.34
RPS6KB1 P23443 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL2101206 0.92 P2RX7 (0.67) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2609211 0.92 P2RX7 (0.58) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2102964 0.91 P2RX7 (0.52) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2102209 0.91 P2RX7 (0.54) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL13306567 0.91 P2RX7 (0.54) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103656 0.91 P2RX7 (0.54) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103962 0.90 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103964 0.90 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103966 0.90 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2102118 0.88 P2RX7 (0.58) P2RX7HDAC3HDAC4HDAC1HDAC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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 P2RX7 8/4885KAT6A 3948/4885KAT5 4650/4885

“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.