SCHEMBL4985380

SCHEMBL4985380

COc1cccc(C(=O)N2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
GRM5 P41594 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
ABL1 P00519 5/20 0.47
BCR P11274 5/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PDE4B Q07343 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KDR P35968 1/20 0.44

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
SCHEMBL4986960 0.89 KDM4E (0.46) ALDH1A1GRM5CA1CA2CA7
SCHEMBL4989547 0.87 HPGD (0.49) ALDH1A1HPGDGRM5L3MBTL1CA12
SCHEMBL4985525 0.87 HSD11B1 (0.47) GRM5ABL1BCR
SCHEMBL4983101 0.86 HPGD (0.49) HPGDGRM5L3MBTL1CDK4CCND1
SCHEMBL4992289 0.84 GRM5 (0.49) ALDH1A1HPGDGRM5CA12CA1
SCHEMBL4989398 0.84 MAPK1 (0.58) ALDH1A1HPGDL3MBTL1CA1CA2
SCHEMBL4989748 0.84 SMN1; SMN2 (0.55) ALDH1A1HPGDGRM5CDK4CCND1
SCHEMBL4988685 0.83 GRM5 (0.52) GRM5
SCHEMBL4985624 0.83 P2RX7 (0.49) ALDH1A1HPGDGRM5
SCHEMBL4983021 0.82 SIGMAR1 (0.50) ALDH1A1L3MBTL1

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 3640/4885HPGD 368/4885GRM5 231/4885

“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.