SCHEMBL10314903

SCHEMBL10314903

COCc1ccc2c(n1)CCNC2=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
CYP1A2 P05177 1/20 0.47
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
KCNH2 Q12809 1/20 0.43
PARP10 Q53GL7 8/20 0.39
PARP11 Q9NR21 7/20 0.39
PARP1 P09874 5/20 0.39
MAP4K1 Q92918 1/20 0.39
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PDPK1 O15530 1/20 0.36
ACHE P22303 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL300231 0.80 GRM5 (0.44) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL10008159 0.77 GRM5 (0.53) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL10007959 0.75 GRM5 (0.63) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL19153633 0.74 PARP10 (0.49) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL30130624 0.74 PARP10 (0.49) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL10314900 0.73 GRM5 (0.59) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL721801 0.73 GRM5 (0.42) GRM5CYP1A2GABRG2GABRB3GABRA5
SCHEMBL23649631 0.71 GRM5 (0.46) GRM5CYP1A2PARP10PARP11PARP1
SCHEMBL10008839 0.71 ACHE (0.49) GRM5CYP1A2PARP10PARP11PARP1
SCHEMBL3403552 0.71 GRM5 (0.46) GRM5CYP1A2PARP10PARP11PARP1

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-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 US disclosed

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-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885CYP1A2 3633/4885GABRG2 71/4885

“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.