SCHEMBL20162149

SCHEMBL20162149

O=C(Nc1cc2c(cc1F)CNCC2)c1cn(Cc2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.34
MELK Q14680 1/20 0.34
SCD O00767 1/20 0.33
MLNR O43193 1/20 0.33
RIPK1 Q13546 2/20 0.32
S1PR1 P21453 2/20 0.32
ATR Q13535 1/20 0.32
KLKB1 P03952 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL20367451 0.91 HDAC1 (0.38) MAP3K5MELKSCDMLNRS1PR1
SCHEMBL20162140 0.86 WNT1 (0.38) MAP3K5SCDMLNRKLKB1
SCHEMBL20162167 0.86 MELK (0.46) MELKMLNRS1PR1KLKB1
Hydrochloric Acid SCHEMBL20162129 0.85 MELK (0.45) MELKMLNRS1PR1KLKB1
SCHEMBL21518083 0.82 OGA (0.37) SCDRIPK1KLKB1SMYD3USP30
SCHEMBL20162148 0.81 RBP4 (0.34) MAP3K5SCDRIPK1KLKB1SMYD3
SCHEMBL20169989 0.81 MAP3K5 (0.47) MAP3K5MELKRIPK1
SCHEMBL20162172 0.80 TAS2R8 (0.35) MAP3K5MLNRRIPK1
SCHEMBL20169993 0.78 MAP3K5 (0.33) MAP3K5MELKS1PR1ATRHDAC1
SCHEMBL20162145 0.77 SCD (0.39) MAP3K5SCDMLNRKLKB1

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-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAP3K5 3026/4885MELK 3923/4885SCD 4699/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES MAP3K5 3854/4885MELK 3847/4885SCD 4819/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 MAP3K5 2768/4885MELK 3442/4885SCD 1768/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 MAP3K5 3026/4885MELK 3923/4885SCD 4699/4885

“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.