SCHEMBL20162142

SCHEMBL20162142

O=C(Nc1cn(Cc2cccc(Oc3ccccc3)c2)cn1)c1cnc2c(c1)CCNC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CPB1 P15086 1/20 0.38
KLKB1 P03952 1/20 0.38
RIPK1 Q13546 4/20 0.38
CHRM3 P20309 1/20 0.38
SCD O00767 1/20 0.38
FAAH O00519 6/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL20162139 0.89 SCD (0.51) CHRM3SCDTAS2R8
SCHEMBL20162119 0.89 TAS2R8 (0.45) CDK5CDK5R1KLKB1CHRM3SCD
SCHEMBL20364374 0.87 TAS2R8 (0.44) CDK5CDK5R1RIPK1TAS2R8MAPT
SCHEMBL20169996 0.87 HTR2C (0.46) CDK5CDK5R1RIPK1TAS2R8ALDH1A1
SCHEMBL20162110 0.85 KDM4C (0.45) CHRM3SCDTAS2R8
SCHEMBL20162174 0.84 HTR2C (0.43) CDK5CDK5R1RIPK1TAS2R8
SCHEMBL20162175 0.82 TAS2R8 (0.39) RIPK1TAS2R8MAPT
SCHEMBL20162155 0.82 TAS2R8 (0.40) RIPK1TAS2R8
SCHEMBL20162116 0.81 TAS2R8 (0.39) RIPK1TAS2R8
SCHEMBL20162162 0.80 TAS2R8 (0.38) CDK5CDK5R1RIPK1TAS2R8MAPT

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-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US claimed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US claimed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP claimed
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP 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 (2 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 CDK5 355/4885CDK5R1 182/4885CPB1 4320/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 CDK5 355/4885CDK5R1 182/4885CPB1 4320/4885

“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.