SCHEMBL4382639

SCHEMBL4382639

Cc1cc(-n2ccc3c(N)cccc3c2=O)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.41
AURKA O14965 12/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKB Q96GD4 4/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
SYK P43405 2/20 0.36
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL13587823 0.82 AURKA (0.37) AURKAKDM4EGAAAURKBSYK
SCHEMBL30822708 0.80 AURKA (0.41) AURKAKDM4ENPC1GAAAURKB
SCHEMBL4382672 0.77 PARP1 (0.41) PARP1KDM4EGAAHSD17B10RECQL
SCHEMBL30822710 0.72 CYP1A2 (0.40) PARP1AURKAKDM4ENPC1GAA
SCHEMBL30822720 0.71 ALK (0.49) AURKAAURKBSYK
SCHEMBL30822718 0.71 TYMS (0.39) AURKAKDM4ENPC1GAACTDSP1
SCHEMBL4383803 0.70 PARP1 (0.40) PARP1GAAHSD17B10CTDSP1RECQL
SCHEMBL30822667 0.70 JAK2 (0.39) PARP1AURKAKDM4ENPC1GAA
SCHEMBL30822741 0.70 ALK (0.41) PARP1AURKAKDM4EGAAAURKB
SCHEMBL4383990 0.68 CYP1A2 (0.39) PARP1KDM4EHSD17B10CTDSP1RECQL

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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 PARP1 1868/4885AURKA 4078/4885KDM4E 4159/4885

“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.