SCHEMBL12700795

SCHEMBL12700795

C#Cc1cnc2c(c1)CCN2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.62
▸ NNMT P40261 4/20 0.49
▸ ASIC3 Q9UHC3 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ OGA O60502 1/20 0.30

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
SCHEMBL31014525 1.00 GRM5 (0.62) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL1680438 0.84 GRM5 (0.64) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL21382644 0.75 GRM5 (0.65) GRM5ALOX5APFEN1
SCHEMBL10283350 0.72 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL13538508 0.72 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL828125 0.72 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL13154323 0.72 NNMT (0.57) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL21573715 0.72 NNMT (0.57) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL1723715 0.72 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL13004722 0.72 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — 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-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 GRM5 4685/4885NNMT 935/4885ASIC3 4327/4885

“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.

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