SCHEMBL20364372

SCHEMBL20364372

Cc1cccc(Cn2cnc(NC(=O)c3cc4c(cn3)CNCC4)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.41
RIPK1 Q13546 6/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SCD O00767 1/20 0.38
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAP3K5 Q99683 3/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL20162147 0.87 CYP3A4 (0.43) RIPK1HTR2CHTR2BSCDMMP13
SCHEMBL20364380 0.87 TAS2R8 (0.54) TAS2R8RIPK1WNT1GSK3BDYRK1A
SCHEMBL20364373 0.85 TAS2R8 (0.41) TAS2R8RIPK1HTR2CHTR2BCDK5
SCHEMBL20364379 0.85 TAS2R8 (0.54) TAS2R8WNT1GSK3BDYRK1AMAP3K5
SCHEMBL20364374 0.83 TAS2R8 (0.44) TAS2R8RIPK1HTR2CHTR2BCDK5
SCHEMBL20162172 0.83 TAS2R8 (0.35) TAS2R8RIPK1CDK5CDK5R1WNT1
SCHEMBL20364375 0.82 PNMT (0.42) TAS2R8RIPK1CDK5CDK5R1
SCHEMBL20364377 0.82 NPC1 (0.40) TAS2R8RIPK1CDK5CDK5R1
SCHEMBL20364376 0.80 TAS2R8 (0.40) TAS2R8RIPK1CDK5CDK5R1SCD
SCHEMBL20364385 0.79 TAS2R8 (0.52) TAS2R8RIPK1CDK5CDK5R1WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 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-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885RIPK1 3470/4885HTR2C 1471/4885

“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.