SCHEMBL20364355

SCHEMBL20364355

Cc1cccc(Cn2cnc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.47
MAP3K5 Q99683 9/20 0.43
HDAC1 Q13547 1/20 0.42
KDM1A O60341 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
RIPK1 Q13546 1/20 0.38
NAMPT P43490 1/20 0.38
SCD O00767 1/20 0.37
ROCK2 O75116 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
SCHEMBL20364350 0.94 TAS2R8 (0.49) TAS2R8MAP3K5KDM1A
SCHEMBL20364347 0.94 TAS2R8 (0.49) TAS2R8MAP3K5KDM1AMAPTRECQL
SCHEMBL20367429 0.89 KDM4C (0.44) TAS2R8MAP3K5HDAC1NAMPTSCD
SCHEMBL20364351 0.89 TAS2R8 (0.42) TAS2R8MAP3K5HDAC1KDM1AMAPT
SCHEMBL20364348 0.85 MAP3K5 (0.41) TAS2R8MAP3K5KDM1ACDK5CDK5R1
SCHEMBL20364363 0.85 ESR2 (0.48) TAS2R8MAP3K5HDAC1CDK5CDK5R1
SCHEMBL20170243 0.85 ESR2 (0.47) TAS2R8MAP3K5CDK5CDK5R1NAMPT
SCHEMBL20364346 0.84 TAS2R8 (0.47) TAS2R8KDM1AMAPTRECQLCDK5
SCHEMBL20364334 0.83 MAP3K5 (0.43) TAS2R8MAP3K5KDM1AMAPTCDK5
SCHEMBL20367330 0.83 ABCB1 (0.44) TAS2R8MAP3K5

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 2479/4885MAP3K5 3026/4885HDAC1 27/4885

“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.