SCHEMBL1590127

SCHEMBL1590127

CC(=O)NCCn1ccc2c(N)cccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.64
MAPK1 P28482 1/20 0.49
MTNR1A P48039 4/20 0.45
EGLN1 Q9GZT9 2/20 0.43
GRM2 Q14416 4/20 0.41
MTNR1B P49286 3/20 0.41
NSD2 O96028 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8224004 0.82 MAPK1 (0.47) PARP1MAPK1MTNR1AEGLN1GRM2
SCHEMBL1589919 0.81 GAA (0.58) PARP1MAPK1MTNR1AGRM2MTNR1B
SCHEMBL1590527 0.79 PARP1 (0.64) PARP1GRM2KDM4EMAPTALDH1A1
SCHEMBL12702816 0.79 PARP1 (0.67) PARP1GRM2MAPT
SCHEMBL1896689 0.79 PARP1 (0.71) PARP1GRM2KDM4EMAPTALDH1A1
SCHEMBL1590467 0.75 PARP1 (0.66) PARP1EGLN1GRM2NSD2KDM4E
SCHEMBL8233023 0.75 PARP1 (0.59) PARP1GRM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9394351 0.75 PARP1 (0.61) PARP1GRM2KDM4EMAPTALDH1A1
SCHEMBL3747700 0.75 PARP1 (0.62) PARP1GRM2ALDH1A1
SCHEMBL3746261 0.75 PARP1 (0.62) PARP1GRM2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 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
CN-101442909-A Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC (US) 2009-05-27 CN 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-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
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885MAPK1 546/4885MTNR1A 507/4885
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885MAPK1 546/4885MTNR1A 507/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885MAPK1 546/4885MTNR1A 507/4885

“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.