SCHEMBL1590439

SCHEMBL1590439

COc1ccc(C(=O)Nc2cccc3c(=O)n(C(C)CO)ccc23)cc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
PDE4D Q08499 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
SCHEMBL1591269 0.90 P2RX7 (0.55) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL1591538 0.85 P2RX7 (0.56) P2RX7MEN1KMT2AMAPT
SCHEMBL13047496 0.84 TP53 (0.49) MEN1KMT2AALDH1A1ROCK2CYP3A4
SCHEMBL1590594 0.84 MEN1 (0.46) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL1590769 0.82 ACKR3 (0.46) MEN1KMT2AALDH1A1ROCK2CYP3A4
SCHEMBL13047261 0.82 RXFP1 (0.54) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL1590425 0.81 P2RX7 (0.54) P2RX7KMT2AALDH1A1MAPT
SCHEMBL1591069 0.81 P2RX7 (0.56) P2RX7MEN1KMT2ACYP3A4CYP2C19
SCHEMBL13047462 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1ROCK2CYP3A4
SCHEMBL1590777 0.81 P2RX7 (0.52) P2RX7MEN1KMT2AALDH1A1MAPT

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 P2RX7 1/4885MEN1 4853/4885KMT2A 4614/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4853/4885KMT2A 4614/4885

“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.