SCHEMBL3614043

SCHEMBL3614043

O=c1c2cnn(-c3ccccn3)c2ncn1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
ACVR1 Q04771 1/20 0.44
GRM1 Q13255 1/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
CYP17A1 P05093 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
GRM7 Q14831 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SLC2A1 P11166 1/20 0.38
SLC2A2 P11168 1/20 0.38
SLC2A3 P11169 1/20 0.38

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
SCHEMBL3610908 0.84 GRM1 (0.61) DPP4GRM1KDM4ERAB9AALDH1A1
SCHEMBL3603582 0.83 GRM1 (0.59) DPP4GRM1KDM4ERAB9ANPC1
SCHEMBL3612171 0.81 GRM1 (0.48) ACVR1GRM1KDM4ERAB9AALDH1A1
SCHEMBL3612254 0.81 FSCN1 (0.50) ACVR1GRM1KDM4ERAB9AALDH1A1
SCHEMBL3597541 0.81 CNR1 (0.55) ACVR1GRM1KDM4ERAB9AALDH1A1
SCHEMBL3602072 0.81 POLB (0.50) DPP4ACVR1GRM1KDM4ERAB9A
SCHEMBL3615611 0.78 HTT (0.59) GRM1KDM4ERAB9AALDH1A1NPC1
SCHEMBL3612233 0.78 TP53 (0.55) GRM1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3616123 0.77 TP53 (0.57) GRM1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3608846 0.76 TP53 (0.56) DPP4GRM1KDM4ERAB9AALDH1A1

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 DPP4 1283/4885ACVR1 3346/4885GRM1 1/4885

“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.