SCHEMBL4989360

SCHEMBL4989360

Nc1ncnc2c1CCN(C(=O)Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
KCNK3 O14649 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
MEN1 O00255 1/20 0.41
TNK2 Q07912 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL4986049 0.88 POLB (0.45) NPC1KMT2APTGDR2RAB9AUSP2
SCHEMBL4992228 0.88 NPC1 (0.49) NPC1PTGDR2L3MBTL1ALDH1A1ME2
SCHEMBL4990962 0.85 SMN1; SMN2 (0.54) NPC1KMT2ARAB9AGAAL3MBTL1
SCHEMBL4988637 0.85 GRM5 (0.48) KMT2APTGDR2GAAP2RX7ALDH1A1
SCHEMBL4983021 0.84 SIGMAR1 (0.50) NPC1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL4984972 0.84 RAB9A (0.38) NPC1RAB9AGAAP2RX7ALDH1A1
SCHEMBL4980953 0.83 MEN1 (0.53) NPC1KMT2APTGDR2RAB9AUSP2
SCHEMBL4985624 0.81 P2RX7 (0.49) P2RX7ALDH1A1
SCHEMBL4984698 0.81 F12 (0.42) NPC1RAB9AP2RX7
SCHEMBL4983752 0.80 HTT (0.52) NPC1KMT2APTGDR2ALDH1A1KDM4E

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 NPC1 2233/4885KMT2A 4614/4885PTGDR2 134/4885

“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.