SCHEMBL4982974

SCHEMBL4982974

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
HSP90AB1 P08238 1/20 0.42
KCNH2 Q12809 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NAMPT P43490 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL4990813 0.89 PKM (0.42) GRM5
SCHEMBL4988052 0.89 HSP90AB1 (0.42) GRM5HSP90AB1CA12CA1CA2
SCHEMBL4985620 0.88 PTGS1 (0.43) GRM5KCNH2
SCHEMBL4989566 0.88 GAA (0.45) KCNH2
SCHEMBL4984810 0.88 KMT2A (0.43) GRM5PARP10NAMPT
SCHEMBL4989744 0.87 ALDH1A1 (0.51) GRM5KCNH2CA12CA1CA2
SCHEMBL4984723 0.87 GRM5 (0.43) GRM5KCNH2
SCHEMBL4983028 0.86 HPGD (0.44)
SCHEMBL4989543 0.86 HPGD (0.45) GRM5CA12CA1CA2CA7
SCHEMBL4987144 0.86 CYP2C9 (0.40) GRM5

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 231/4885HSP90AB1 1175/4885KCNH2 743/4885

“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.