SCHEMBL305867

SCHEMBL305867

CC(=O)OCC(C)n1ccc2c(N)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
P2RX7 Q99572 5/20 0.38
CDC25B P30305 3/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NSD2 O96028 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RORA P35398 1/20 0.33
NR5A1 Q13285 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3005033 1.00 PARP1 (0.45) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL305866 1.00 PARP1 (0.45) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL8231616 0.89 PARP1 (0.46) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL3001614 0.88 PARP1 (0.43) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL3001609 0.88 PARP1 (0.43) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL3001612 0.88 PARP1 (0.43) PARP1P2RX7CDC25BELANEKDM4E
SCHEMBL13114614 0.86 P2RX7 (0.41) P2RX7KDM4ESMN1; SMN2ALDH1A1RORA
SCHEMBL1590563 0.86 PARP1 (0.42) PARP1P2RX7CDC25BELANESMN1; SMN2
SCHEMBL1590561 0.86 PARP1 (0.42) PARP1P2RX7CDC25BELANESMN1; SMN2
SCHEMBL1590560 0.86 PARP1 (0.42) PARP1P2RX7CDC25BELANESMN1; SMN2

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 14 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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 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
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (4 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 1735/4885P2RX7 1/4885CDC25B 2439/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885P2RX7 1/4885CDC25B 2172/4885
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885P2RX7 1/4885CDC25B 2172/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885P2RX7 1/4885CDC25B 2172/4885

“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.