SCHEMBL3613073

SCHEMBL3613073

O=c1c2cnn(-c3ccccc3)c2ncn1C1CC2CCC(C2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GRM1 Q13255 1/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALPG P10696 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

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 0.86 GRM1 (0.59) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3617841 0.86 RAB9A (0.57) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3610908 0.85 GRM1 (0.61) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3615459 0.83 RAB9A (0.53) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL13316476 0.83 RAB9A (0.53) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL13316474 0.82 RAB9A (0.47) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL8162771 0.79 RAB9A (0.48) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3612171 0.75 GRM1 (0.48) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3602072 0.74 POLB (0.50) RAB9ALMNASMN1; SMN2HPGDKDM4E
SCHEMBL3612233 0.74 TP53 (0.55) LMNASMN1; SMN2HPGDKDM4EGRM1

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 RAB9A 1068/4885LMNA 4440/4885SMN1; SMN2 1132/4885

“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.