SCHEMBL3608846

SCHEMBL3608846

Cc1cccc(-n2ncc3c(=O)n(C4CCCCC4)cnc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
ALDH1A1 P00352 7/20 0.56
HTT P42858 5/20 0.56
HSD17B10 Q99714 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TSHR P16473 3/20 0.56
HPGD P15428 2/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MAPT P10636 8/20 0.55
GRM1 Q13255 2/20 0.52
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL3616123 0.88 TP53 (0.57) TP53SMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL3612233 0.86 TP53 (0.55) TP53SMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL3610908 0.86 GRM1 (0.61) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3603582 0.85 GRM1 (0.59) TP53NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3602072 0.82 POLB (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL3612171 0.81 GRM1 (0.48) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3612254 0.80 FSCN1 (0.50) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL3615611 0.80 HTT (0.59) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3608848 0.77 RAB9A (0.55) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3614043 0.76 DPP4 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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 5 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

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 TP53 4882/4885NPC1 787/4885RAB9A 1068/4885

“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.