SCHEMBL4992289

SCHEMBL4992289

Nc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.49
P2RX7 Q99572 7/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 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
SCHEMBL4988859 0.89 P2RX7 (0.43) GRM5P2RX7
SCHEMBL4989748 0.87 SMN1; SMN2 (0.55) GRM5P2RX7ALDH1A1CA12CA1
SCHEMBL4983101 0.87 HPGD (0.49) GRM5P2RX7CYP3A4HPGD
SCHEMBL4988057 0.87 P2RX7 (0.45) GRM5P2RX7ALDH1A1CA12CA1
SCHEMBL4985624 0.87 P2RX7 (0.49) GRM5P2RX7ALDH1A1HPGD
SCHEMBL4986041 0.86 HPGD (0.49) P2RX7PKMHPGD
SCHEMBL4984765 0.86 P2RX7 (0.44) P2RX7
SCHEMBL4988685 0.84 GRM5 (0.52) GRM5P2RX7
SCHEMBL4985380 0.84 ALDH1A1 (0.51) GRM5ALDH1A1CA12CA1CA2
SCHEMBL4984930 0.84 P2RX7 (0.56) GRM5P2RX7HPGD

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 GRM5 231/4885P2RX7 1/4885PKM 1098/4885

“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.