SCHEMBL20162130

SCHEMBL20162130

O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1ccc2c(n1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SCD O00767 1/20 0.40
KCNH2 Q12809 1/20 0.39
RIPK1 Q13546 3/20 0.38
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
NR3C2 P08235 1/20 0.36
SORT1 Q99523 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL20169947 0.88 F10 (0.42) HTR2CHTR2BSCDRIPK1
SCHEMBL20364373 0.87 TAS2R8 (0.41) HTR2CHTR2BSCDRIPK1
SCHEMBL20162147 0.86 CYP3A4 (0.43) CYP3A4CYP2C9KDM4CHTR2CHTR2B
SCHEMBL20162177 0.85 KDM4C (0.46) CYP3A4CYP2C9KDM4CKCNH2ASIC3
SCHEMBL20330427 0.85 KDM4C (0.46) CYP3A4CYP2C9KDM4CAXLTYRO3
SCHEMBL20162118 0.84 TAS2R8 (0.36) RIPK1
SCHEMBL20367486 0.83 CYP3A4 (0.42) CYP3A4CYP2C9KDM4CHTR2CHTR2B
SCHEMBL20330430 0.83 KDM4C (0.42) CYP3A4CYP2C9KDM4CSCDKCNH2
SCHEMBL20162110 0.82 KDM4C (0.45) CYP3A4CYP2C9KDM4CHTR2CHTR2B
SCHEMBL20367312 0.82 KDM4C (0.43) CYP3A4CYP2C9KDM4CKCNH2RIPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US claimed
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP claimed
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-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US disclosed
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP 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 (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 CYP3A4 1261/4885CYP2C9 1569/4885KDM4C 1041/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES CYP3A4 2188/4885CYP2C9 4224/4885KDM4C 41/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 CYP3A4 350/4885CYP2C9 2034/4885KDM4C 578/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 CYP3A4 1261/4885CYP2C9 1569/4885KDM4C 1041/4885

“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.