SCHEMBL1591022

SCHEMBL1591022

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.53
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 1/20 0.49
P2RX7 Q99572 1/20 0.49
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PARP14 Q460N5 1/20 0.47
KCNQ2 O43526 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.44
NLRP3 Q96P20 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL13047083 0.93 GRM2 (0.53) GRM2KDM4EMAPK1P2RX7ALDH1A1
SCHEMBL1591463 0.91 POLB (0.50) GRM2KDM4EMAPK1P2RX7ALDH1A1
SCHEMBL1591028 0.90 P2RX7 (0.47) GRM2KDM4EP2RX7ALDH1A1SMN1; SMN2
SCHEMBL1590642 0.90 POLB (0.60) GRM2KDM4EP2RX7ALDH1A1PARP14
SCHEMBL1591191 0.89 P2RX7 (0.51) GRM2KDM4EP2RX7ALDH1A1SMN1; SMN2
SCHEMBL1590792 0.87 SHMT2 (0.49) GRM2KDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14407695 0.86 P2RX7 (0.53) KDM4EP2RX7ALDH1A1POLBHPGD
SCHEMBL1590296 0.86 P2RX7 (0.62) GRM2KDM4EMAPK1P2RX7ALDH1A1
SCHEMBL1591200 0.85 TP53 (0.54) GRM2KDM4EMAPK1P2RX7ALDH1A1
SCHEMBL13047211 0.85 GRM2 (0.59) GRM2KDM4EMAPK1P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
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-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 (2 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 GRM2 332/4885KDM4E 4128/4885MAPK1 546/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885KDM4E 4128/4885MAPK1 546/4885

“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.