SCHEMBL20169947

SCHEMBL20169947

O=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(n1)CCNC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
RIPK1 Q13546 6/20 0.38
PHF8 Q9UPP1 1/20 0.38
SCD O00767 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
PTGER1 P34995 2/20 0.35

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
SCHEMBL20364373 0.90 TAS2R8 (0.41) F10HTR2CHTR2BRIPK1SCD
SCHEMBL20162130 0.88 CYP3A4 (0.43) HTR2CHTR2BRIPK1SCD
SCHEMBL20162118 0.85 TAS2R8 (0.36) F10RIPK1CDK5CDK5R1TAS2R8
SCHEMBL20169955 0.85 PTGER1 (0.49) HTR2CHTR2BTAS2R8PTGER1
SCHEMBL20169996 0.82 HTR2C (0.46) HTR2CHTR2BRIPK1PHF8CDK5
SCHEMBL19303966 0.79 GRM5 (0.50) RIPK1PHF8SCDCDK5CDK5R1
SCHEMBL20364357 0.78 MAP3K5 (0.41) RIPK1SCDCDK5CDK5R1
SCHEMBL19303980 0.78 RAB9A (0.52) PHF8CDK5CDK5R1
SCHEMBL20162132 0.76 TAS2R8 (0.49) TAS2R8PTGER1
SCHEMBL19303965 0.76 GRM4 (0.53) PHF8SCDCDK5CDK5R1

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 4 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 disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 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 F10 986/4885HTR2C 1471/4885HTR2B 2579/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 F10 986/4885HTR2C 1471/4885HTR2B 2579/4885

“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.