SCHEMBL13675153

SCHEMBL13675153

CCc1cccc(-c2ccncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
CYP2D6 P10635 1/20 0.46
GRM5 P41594 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CETP P11597 1/20 0.42
GSK3B P49841 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PRKCI P41743 1/20 0.41
BCL2 P10415 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 1/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
DHFR P00374 1/20 0.39
TGFBR1 P36897 1/20 0.38
MAPK13 O15264 1/20 0.37

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
SCHEMBL1445137 0.83 PRKCI (0.62) GRM5CETPLRRK2PRKCI
SCHEMBL8270139 0.79 HRH3 (0.56) IDO1CYP2D6NISCHCTSSCTSK
SCHEMBL13637172 0.79 CYP2D6 (0.60) CYP2D6NISCHGSK3BMAPK9
SCHEMBL6840529 0.77 KMO (0.51) IDO1CYP2D6GRM5MAPK14
SCHEMBL12900062 0.77 IDO1 (0.54) IDO1NISCHCTSSCTSKLRRK2
SCHEMBL10066929 0.77 PRKCI (0.67) IDO1NISCHPRMT6PRKCIBCL2
SCHEMBL2482401 0.77 HRH3 (0.54) IDO1CYP2D6NISCHCTSSCTSK
SCHEMBL4472581 0.77 IDO1 (0.54) IDO1CYP2D6NISCHCTSSCTSK
SCHEMBL2759531 0.75 IDO1 (0.49) IDO1NISCHCTSSCTSKPRMT6
SCHEMBL14425577 0.75 KMO (0.51) CYP2D6GRM5NISCHCETPNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653621-A1 APPARATUS FOR SYNTHESIZING THE IMAGING AGENT 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-[[4-[[2-(FLUORO-[18F])ETHOXY]METHYL]PHENYL]METHOXY]-3(2H)-PYRIDAZINONE (FLUORPIRIDAZ [18F]) Lantheus Medical Imaging, Inc. (US) 2020-05-20 EP disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB IDO1 4659/4885CYP2D6 1670/4885GRM5 2653/4885

“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.