SCHEMBL20162167

SCHEMBL20162167

O=C(Nc1ccc2c(c1)CCNC2)c1cn(Cc2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.46
S1PR1 P21453 2/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
SLC2A1 P11166 2/20 0.41
ROCK2 O75116 4/20 0.41
MLNR O43193 1/20 0.41
PKN2 Q16513 2/20 0.39
PRKG1 Q13976 2/20 0.39
PRKCE Q02156 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2 P17301 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL20162129 0.99 MELK (0.45) MELKS1PR1F2PLGPLAU
SCHEMBL20162149 0.86 MAP3K5 (0.34) MELKS1PR1KLKB1MLNR
SCHEMBL20162140 0.85 WNT1 (0.38) KLKB1MLNR
Hydrochloric Acid SCHEMBL21518081 0.82 PLAU (0.42) PLAU
SCHEMBL20162120 0.81 TAS2R8 (0.49) MELKF2PLGPLAUPLAT
SCHEMBL20162172 0.80 TAS2R8 (0.35) MLNR
SCHEMBL20367451 0.79 HDAC1 (0.38) MELKS1PR1KLKB1MLNR
SCHEMBL20162145 0.78 SCD (0.39) KLKB1MLNR
SCHEMBL20162118 0.78 TAS2R8 (0.36) MLNR
SCHEMBL20367291 0.77 ESR2 (0.46)

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 10 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-11434472-B2 Agent for removing undifferentiated iPS cells Sumitomo Pharma Co., Ltd. (JP) 2022-09-06 US disclosed
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
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 (3 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 MELK 3923/4885S1PR1 2396/4885F2 3104/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES MELK 3847/4885S1PR1 1987/4885F2 4800/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 MELK 3923/4885S1PR1 2396/4885F2 3104/4885

“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.