SCHEMBL4993468

SCHEMBL4993468

Cc1c(C(=O)N2CCc3c(N)ncnc3C2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RX7 Q99572 5/20 0.45
SLC9A1 P19634 1/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
SPR P35270 9/20 0.44
EIF4A3 P38919 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4982582 0.81 ALDH1A1 (0.54) ALDH1A1P2RX7HTT
SCHEMBL14272340 0.79 TSHR (0.48) ALDH1A1MAPK1MAPTNPSR1P2RX7
SCHEMBL4987112 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTNPSR1SLC9A1
SCHEMBL4985624 0.78 P2RX7 (0.49) ALDH1A1P2RX7
SCHEMBL13532531 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTNPSR1P2RX7
SCHEMBL4986740 0.77 KDM4E (0.47) ALDH1A1MAPTP2RX7LMNAHTT
SCHEMBL4982574 0.77 P2RX7 (0.40) ALDH1A1MAPK1MAPTNPSR1P2RX7
SCHEMBL4989133 0.76 P2RX7 (0.62) ALDH1A1P2RX7LMNAHTT
SCHEMBL4986230 0.76 P2RX7 (0.51) ALDH1A1P2RX7
SCHEMBL4988102 0.76 HTT (0.50) ALDH1A1P2RX7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885MAPK1 546/4885MAPT 4477/4885

“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.