SCHEMBL20162109

SCHEMBL20162109

CN1CCc2cc(C(=O)Nc3cn(Cc4cccc(C(F)(F)F)c4)cn3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.49
KDM4C Q9H3R0 1/20 0.47
DDR1 Q08345 4/20 0.46
DDR2 Q16832 4/20 0.46
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
WNT1 P04628 3/20 0.46
GSK3B P49841 3/20 0.46
DYRK1A Q13627 3/20 0.46
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
KIT P10721 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
KCNH2 Q12809 1/20 0.43
ABCB1 P08183 1/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL20367488 0.91 KDM4C (0.47) TAS2R8KDM4CDDR1DDR2NTRK1
Trifluoroacetic Acid SCHEMBL20162135 0.88 KDM4C (0.46) TAS2R8KDM4CDDR1DDR2NTRK1
SCHEMBL20364387 0.88 TAS2R8 (0.56) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20367121 0.87 ABCB1 (0.44) TAS2R8KDM4CABCB1NAMPT
SCHEMBL20367330 0.86 ABCB1 (0.44) TAS2R8KDM4CDDR1DDR2NTRK1
SCHEMBL20162181 0.85 KDM4C (0.47) TAS2R8KDM4CKCNH2ABCB1NAMPT
SCHEMBL20330427 0.84 KDM4C (0.46) TAS2R8KDM4CWNT1GSK3BDYRK1A
SCHEMBL20162177 0.84 KDM4C (0.46) TAS2R8KDM4CWNT1GSK3BDYRK1A
SCHEMBL20367354 0.84 TAS2R8 (0.47) TAS2R8KDM4CKCNH2
SCHEMBL20367429 0.84 KDM4C (0.44) TAS2R8KDM4CKCNH2ABCB1NAMPT

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 5 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-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 TAS2R8 2479/4885KDM4C 1041/4885DDR1 1114/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885KDM4C 1041/4885DDR1 1114/4885

“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.