SCHEMBL20169996

SCHEMBL20169996

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
PHF8 Q9UPP1 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGER1 P34995 2/20 0.38
NAMPT P43490 1/20 0.38
RIPK1 Q13546 3/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
P2RY14 Q15391 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL20162174 0.92 HTR2C (0.43) HTR2CHTR2BTAS2R8PTGER1RIPK1
SCHEMBL20364374 0.90 TAS2R8 (0.44) HTR2CHTR2BTAS2R8RIPK1CDK5
SCHEMBL20162143 0.88 TAS2R8 (0.37) HTR2CHTR2BTAS2R8PTGER1RIPK1
SCHEMBL20169955 0.88 PTGER1 (0.49) HTR2CHTR2BTAS2R8ALDH1A1PTGER1
SCHEMBL20162110 0.87 KDM4C (0.45) HTR2CHTR2BTAS2R8P2RY14KDM4C
SCHEMBL20162175 0.87 TAS2R8 (0.39) HTR2CHTR2BTAS2R8PTGER1RIPK1
SCHEMBL20162142 0.87 CDK5 (0.40) TAS2R8ALDH1A1RIPK1CDK5CDK5R1
SCHEMBL20162162 0.86 TAS2R8 (0.38) HTR2CHTR2BTAS2R8PTGER1RIPK1
SCHEMBL20162139 0.85 SCD (0.51) HTR2CTAS2R8NAMPT
SCHEMBL20162155 0.85 TAS2R8 (0.40) TAS2R8PTGER1RIPK1CDK9P2RY14

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 HTR2C 1471/4885HTR2B 2579/4885PHF8 3069/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 HTR2C 1471/4885HTR2B 2579/4885PHF8 3069/4885

“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.