SCHEMBL20169987

SCHEMBL20169987

O=C1Cc2ccc(C(=O)Nc3cn(Cc4cccc(C(F)(F)F)c4)cn3)cc2CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.40
NR3C2 P08235 1/20 0.39
P2RY14 Q15391 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL20367225 0.89 KDM4C (0.48) KDM4CCYP3A4CYP2C9TAS2R8ALOX15
SCHEMBL20162181 0.86 KDM4C (0.47) KDM4CCYP3A4CYP2C9TAS2R8ALOX15
SCHEMBL20330427 0.86 KDM4C (0.46) KDM4CCYP3A4CYP2C9TAS2R8
SCHEMBL20162177 0.84 KDM4C (0.46) KDM4CCYP3A4CYP2C9TAS2R8KCNH2
SCHEMBL20367117 0.82 KDM4C (0.47) KDM4CCYP3A4CYP2C9TAS2R8ALOX15
SCHEMBL20367354 0.81 TAS2R8 (0.47) KDM4CCYP3A4CYP2C9TAS2R8ALOX15
SCHEMBL20367245 0.80 KDM4C (0.44) KDM4CCYP3A4CYP2C9TAS2R8ALOX15
SCHEMBL20162109 0.80 TAS2R8 (0.49) KDM4CTAS2R8KCNH2NAMPT
SCHEMBL20162152 0.80 KDM4C (0.45) KDM4CCYP3A4CYP2C9TAS2R8KCNH2
SCHEMBL20367488 0.79 KDM4C (0.47) KDM4CCYP3A4CYP2C9TAS2R8KCNH2

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 KDM4C 1041/4885CYP3A4 1261/4885CYP2C9 1569/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 KDM4C 1041/4885CYP3A4 1261/4885CYP2C9 1569/4885

“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.