SCHEMBL3634871

SCHEMBL3634871

COC(=O)c1cnc(Nc2ccncc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
BUB1 O43683 3/20 0.48
GRM5 P41594 3/20 0.44
CSNK2A1 P68400 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
P2RY12 Q9H244 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
MAP4K4 O95819 1/20 0.41

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
SCHEMBL3636023 0.88 MAPT (0.56) MAPK1POLBMAPTGRM5CSNK2A1
SCHEMBL4514156 0.88 MAPT (0.70) MAPK1POLBMAPTGRM5MEN1
SCHEMBL3633584 0.86 MAPT (0.58) MAPK1POLBMAPTGRM5MEN1
SCHEMBL3636750 0.85 SMARCA2 (0.47) BUB1GRM5CSNK2A1MEN1KMT2A
SCHEMBL3629063 0.82 GRM5 (0.65) MAPK1POLBMAPTGRM5
SCHEMBL4221699 0.75 P2RY12 (0.57) GRM5MEN1KMT2AP2RY12
SCHEMBL2813594 0.74 MAPK1 (0.44) MAPK1POLBMAPTGRM5MEN1
SCHEMBL26436181 0.74 MAPK1 (0.53) MAPK1MAPTGRM5MEN1KMT2A
SCHEMBL4514060 0.73 GRM5 (0.57) MAPK1POLBMAPTGRM5MEN1
SCHEMBL15706876 0.73 MAPK1 (0.46) MAPK1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679299-A Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 NOVARTIS AG 2010-03-24 CN disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 MAPK1 2649/4885POLB 1030/4885MAPT 995/4885

“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.