SCHEMBL4989744

SCHEMBL4989744

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1cccc(F)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
GRM5 P41594 8/20 0.48
KCNH2 Q12809 1/20 0.48
PLA2G7 Q13093 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 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
SCHEMBL4983097 0.88 GRM5 (0.48) HPGDGRM5LMNAUBE2MDCUN1D1
SCHEMBL4992284 0.88 GRM5 (0.48) ALDH1A1GRM5CA12CA1CA2
SCHEMBL4982974 0.87 GRM5 (0.45) GRM5KCNH2CA12CA1CA2
SCHEMBL4984928 0.87 GRM5 (0.51) SMN1; SMN2HPGDGRM5LMNA
SCHEMBL4985620 0.87 PTGS1 (0.43) HPGDGRM5KCNH2
SCHEMBL4984810 0.86 KMT2A (0.43) GRM5
SCHEMBL4989344 0.86 LMNA (0.43) ALDH1A1GRM5LMNA
SCHEMBL4988678 0.86 GRM5 (0.52) GRM5
SCHEMBL4985375 0.85 GRM5 (0.51) ALDH1A1HPGDGRM5CA12CA1
SCHEMBL4985522 0.84 HSD11B1 (0.44) 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 ALDH1A1 3640/4885SMN1; SMN2 4369/4885HPGD 368/4885

“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.