SCHEMBL306671

SCHEMBL306671

CC(=O)OCC(C)n1ccc2c(N)c(C3CC3)ccc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.35
MAP3K5 Q99683 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL306670 1.00 P2RX7 (0.35) P2RX7MAP3K5SMN1; SMN2JAK2JAK1
SCHEMBL305879 0.83 P2RX7 (0.33) P2RX7MAP3K5SMN1; SMN2ALDH1A1
SCHEMBL305878 0.83 P2RX7 (0.33) P2RX7MAP3K5SMN1; SMN2ALDH1A1
SCHEMBL308303 0.83 P2RX7 (0.38) P2RX7SMN1; SMN2ALDH1A1
SCHEMBL308304 0.83 P2RX7 (0.38) P2RX7SMN1; SMN2ALDH1A1
SCHEMBL12702893 0.83 P2RX7 (0.34) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL307091 0.82 P2RX7 (0.38) P2RX7ALDH1A1
SCHEMBL307090 0.82 P2RX7 (0.38) P2RX7ALDH1A1
SCHEMBL305866 0.79 PARP1 (0.45) P2RX7SMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL305867 0.79 PARP1 (0.45) P2RX7SMN1; SMN2KDM4ETSHRALDH1A1

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 11 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
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-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 (3 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 P2RX7 1/4885MAP3K5 1202/4885SMN1; SMN2 3970/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MAP3K5 1048/4885SMN1; SMN2 4369/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MAP3K5 1048/4885SMN1; SMN2 4369/4885

“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.