SCHEMBL20162150

SCHEMBL20162150

O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)cn1)c1cnc2c(c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
RIPK1 Q13546 2/20 0.43
HIF1A Q16665 2/20 0.41
EPAS1 Q99814 2/20 0.41
RORC P51449 12/20 0.40
TAS2R8 Q9NYW2 1/20 0.39

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
SCHEMBL20162110 0.91 KDM4C (0.45) HTR2CHTR2BTAS2R8
SCHEMBL20162174 0.90 HTR2C (0.43) HTR2CHTR2BRIPK1TAS2R8
SCHEMBL20162161 0.89 RIPK1 (0.40) RIPK1TAS2R8
SCHEMBL20162126 0.88 RIPK1 (0.39) RIPK1TAS2R8
SCHEMBL20162175 0.87 TAS2R8 (0.39) HTR2CHTR2BRIPK1TAS2R8
SCHEMBL20162155 0.87 TAS2R8 (0.40) RIPK1TAS2R8
SCHEMBL20162162 0.86 TAS2R8 (0.38) HTR2CHTR2BRIPK1TAS2R8
SCHEMBL20162116 0.85 TAS2R8 (0.39) RIPK1TAS2R8
SCHEMBL20162143 0.84 TAS2R8 (0.37) HTR2CHTR2BRIPK1TAS2R8
SCHEMBL20169996 0.84 HTR2C (0.46) HTR2CHTR2BRIPK1TAS2R8

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 HTR2C 1471/4885HTR2B 2579/4885RIPK1 3470/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 HTR2C 1471/4885HTR2B 2579/4885RIPK1 3470/4885

“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.