SCHEMBL20162110

SCHEMBL20162110

O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc2c(c1)CCNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RY14 Q15391 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
CHRM3 P20309 1/20 0.37
PTGS1 P23219 1/20 0.37
SCD O00767 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
SCHEMBL20162150 0.91 HTR2C (0.46) HTR2CHTR2BTAS2R8
SCHEMBL20330427 0.88 KDM4C (0.46) KDM4CCYP3A4CYP2C9TAS2R8
SCHEMBL20162177 0.88 KDM4C (0.46) KDM4CCYP3A4CYP2C9KCNH2P2RY14
SCHEMBL20162139 0.88 SCD (0.51) HTR2CKCNH2TAS2R8CHRM3SCD
SCHEMBL20169996 0.87 HTR2C (0.46) KDM4CHTR2CHTR2BP2RY14TAS2R8
SCHEMBL20364374 0.87 TAS2R8 (0.44) HTR2CHTR2BTAS2R8
SCHEMBL20162126 0.86 RIPK1 (0.39) CYP3A4KCNH2TAS2R8
SCHEMBL20162161 0.85 RIPK1 (0.40) HDAC6TAS2R8SCD
SCHEMBL20162175 0.85 TAS2R8 (0.39) HTR2CHTR2BP2RY14TAS2R8
SCHEMBL20162142 0.85 CDK5 (0.40) TAS2R8CHRM3SCD

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
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

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 KDM4C 1041/4885CYP3A4 1261/4885CYP2C9 1569/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES KDM4C 41/4885CYP3A4 2188/4885CYP2C9 4224/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 KDM4C 578/4885CYP3A4 350/4885CYP2C9 2034/4885
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.