SCHEMBL3610908

SCHEMBL3610908

O=c1c2cnn(-c3ccccc3)c2ncn1C1CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.61
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 4/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
GRM5 P41594 2/20 0.47
DPP4 P27487 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3603582 0.99 GRM1 (0.59) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3612171 0.89 GRM1 (0.48) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3602072 0.88 POLB (0.50) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3612233 0.88 TP53 (0.55) GRM1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL3615611 0.88 HTT (0.59) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3616123 0.87 TP53 (0.57) GRM1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL3608846 0.86 TP53 (0.56) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3613073 0.85 RAB9A (0.53) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3614043 0.84 DPP4 (0.47) GRM1RAB9ANPC1MAPK1LMNA
SCHEMBL3617841 0.83 RAB9A (0.57) GRM1RAB9ANPC1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
EP-2132210-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 WO disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GRM1, GRM2, GRM3 GRM1 1/4885RAB9A 1068/4885NPC1 787/4885

“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.