SCHEMBL3629912

SCHEMBL3629912

CCCn1c(-c2cnc(Nc3ccc(C)nc3)nc2)nc2cc(I)cc(Cl)c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.60
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
FLT4 P35916 1/20 0.33
MAPK10 P53779 2/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK14 Q16539 1/20 0.32
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
FGFR1 P11362 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31

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
SCHEMBL3636793 0.89 GRM5 (0.77) GRM5
SCHEMBL3636267 0.85 GRM5 (0.77) GRM5KDM4ELMNAFLT4MAPK10
SCHEMBL3633698 0.79 GRM5 (0.79) GRM5
SCHEMBL3635843 0.77 GRM5 (0.71) GRM5KDM4ELMNA
SCHEMBL3633520 0.75 GRM5 (1.00) GRM5
SCHEMBL3637919 0.75 GRM5 (0.77) GRM5KDM4ELMNAMAPK10
SCHEMBL3632235 0.75 GRM5 (0.62) GRM5CCNB2CCNE2CDK1FGFR1
SCHEMBL3635384 0.74 GRM5 (0.75) GRM5
SCHEMBL3636829 0.74 GRM5 (0.75) GRM5KDM4ELMNAMAPK10
SCHEMBL3634276 0.73 GRM5 (0.79) GRM5KDM4ELMNA

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 4545/4885KDM4E 2938/4885LMNA 3098/4885

“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.