SCHEMBL20367486

SCHEMBL20367486

O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1nc2c(s1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KCNH2 Q12809 2/20 0.39
RIPK1 Q13546 2/20 0.37
HDAC2 Q92769 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
FAAH O00519 1/20 0.36
AURKA O14965 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
KDR P35968 2/20 0.36
SCD O00767 1/20 0.36
NR3C2 P08235 1/20 0.36
FGFR3 P22607 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35

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
SCHEMBL20364378 0.88 RIPK1 (0.38) RIPK1HDAC2
SCHEMBL20367312 0.85 KDM4C (0.43) CYP3A4CYP2C9KDM4CKCNH2RIPK1
SCHEMBL20162130 0.83 CYP3A4 (0.43) CYP3A4CYP2C9KDM4CKCNH2RIPK1
SCHEMBL20367479 0.83 KDM4C (0.43) CYP3A4CYP2C9KDM4CKCNH2RIPK1
SCHEMBL20162110 0.81 KDM4C (0.45) CYP3A4CYP2C9KDM4CKCNH2HDAC2
SCHEMBL20367237 0.81 FGFR3 (0.40) CYP3A4CYP2C9KDM4CKCNH2KDR
SCHEMBL20330427 0.79 KDM4C (0.46) CYP3A4CYP2C9KDM4C
SCHEMBL20162177 0.79 KDM4C (0.46) CYP3A4CYP2C9KDM4CKCNH2CHRM3
SCHEMBL20162147 0.79 CYP3A4 (0.43) CYP3A4CYP2C9KDM4CKCNH2RIPK1
SCHEMBL20330430 0.77 KDM4C (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US 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.