SCHEMBL3633636

SCHEMBL3633636

CCCn1c(-c2ccc(Nc3ccc(Cl)cc3)nn2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
GRM5 P41594 2/20 0.58
GSK3B P49841 1/20 0.47
AKT1 P31749 1/20 0.47
KDR P35968 1/20 0.47
PTK2 Q05397 1/20 0.47
GAA P10253 3/20 0.46
LMNA P02545 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL13872557 0.85 KDR (0.63) MAPTGRM5GSK3BAKT1KDR
SCHEMBL3634869 0.85 GRM5 (0.60) MAPTGRM5GAALMNAKDM4E
SCHEMBL3634838 0.85 GRM5 (0.49) MAPTGRM5GSK3BAKT1KDR
SCHEMBL3633703 0.80 KDM4E (0.53) MAPTGRM5GAALMNAKDM4E
SCHEMBL3633817 0.80 MAPT (0.61) MAPTGRM5GSK3BAKT1KDR
SCHEMBL3633414 0.76 GRM5 (0.47) MAPTGRM5GSK3BAKT1KDR
SCHEMBL3628373 0.75 ALDH1A1 (0.56) MAPTGAALMNAKDM4ETP53
SCHEMBL3629878 0.74 GRM5 (0.62) MAPTGRM5GSK3BAKT1KDR
SCHEMBL3635677 0.74 GRM5 (1.00) MAPTGRM5AKT1KDRPTK2
SCHEMBL3635491 0.74 GRM5 (0.65) MAPTGRM5LMNAKDM4ENPSR1

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 MAPT 995/4885GRM5 4545/4885GSK3B 1235/4885

“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.