SCHEMBL307653

SCHEMBL307653

Cc1ccc2c(=O)n(CCN(C)C(=O)OC(C)(C)C)ccc2c1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
BRD4 O60885 1/20 0.34
GBA1 P04062 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GRM2 Q14416 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
TNF P01375 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDK2 Q15119 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL305522 0.84 PARP1 (0.42) PARP1TP53POLBGRM2TNF
SCHEMBL1590531 0.83 PARP1 (0.55) PARP1BRD4GBA1POLBGRM2
SCHEMBL307484 0.83 AURKA (0.33) BRD4GBA1TP53POLB
SCHEMBL1590183 0.76 GAA (0.49) PARP1BRD4GBA1TP53POLB
SCHEMBL17690514 0.73 P2RX7 (0.60) RXFP1TRPV4
SCHEMBL10255907 0.67 GBA1 (0.39) GBA1AAK1PDK2TRPV4
SCHEMBL307763 0.67 ALDH1A1 (0.38) PARP1TP53POLBGRM2
SCHEMBL12263354 0.67 ITGB1 (0.41) BRD4GBA1AAK1PDK2TRPV4
SCHEMBL1590467 0.66 PARP1 (0.66) PARP1GRM2EGLN1KDM4E
SCHEMBL21432990 0.65 FDPS (0.40) GBA1AAK1PDK2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1735/4885BRD4 1201/4885GBA1 2215/4885

“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.