SCHEMBL4985116

SCHEMBL4985116

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1ccc(Cl)nc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
RAB9A P51151 2/20 0.44
PDE10A Q9Y233 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
HSP90AB1 P08238 1/20 0.36
GRM5 P41594 3/20 0.35
EPHX2 P34913 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
MTHFD2 P13995 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL4988052 0.87 HSP90AB1 (0.42) HPGDHSP90AB1GRM5MAPT
SCHEMBL4984763 0.85 PROKR1 (0.39) HPGDHSP90AB1GRM5
SCHEMBL4986032 0.84 HPGD (0.45) HPGDMTHFD2
SCHEMBL4988856 0.83 GRM5 (0.39) HSP90AB1GRM5MAPT
SCHEMBL4982974 0.83 GRM5 (0.45) HSP90AB1GRM5
SCHEMBL4990813 0.83 PKM (0.42) HPGDGRM5MAPTMTHFD2
SCHEMBL4985620 0.82 PTGS1 (0.43) HPGDGRM5MTHFD2
SCHEMBL4992284 0.81 GRM5 (0.48) GRM5L3MBTL1
SCHEMBL4984723 0.81 GRM5 (0.43) GRM5
SCHEMBL4988575 0.80 NPC1 (0.46) HPGDRAB9AGRM5MAPT

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 HPGD 368/4885RAB9A 3422/4885PDE10A 1072/4885

“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.