SCHEMBL3634869

SCHEMBL3634869

CCCn1c(-c2ccc(Nc3ccc(C)nc3)nn2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.60
MAPT P10636 3/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP11B1 P15538 1/20 0.42
POLB P06746 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
SCHEMBL13872522 0.86 KDR (0.48) GRM5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3633636 0.85 MAPT (0.63) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3637548 0.84 GRM5 (0.69) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3635491 0.84 GRM5 (0.65) GRM5MAPTKDM4ELMNANPSR1
SCHEMBL3635843 0.80 GRM5 (0.71) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3636026 0.75 GRM5 (1.00) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3633851 0.75 GRM5 (0.79) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3634757 0.74 GRM5 (0.58) GRM5KDM4ELMNACYP11B1
SCHEMBL3633703 0.74 KDM4E (0.53) GRM5MAPTKDM4ELMNAALDH1A1
SCHEMBL3628373 0.74 ALDH1A1 (0.56) MAPTKDM4ELMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 4545/4885MAPT 995/4885KDM4E 2938/4885

“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.