SCHEMBL23355368

SCHEMBL23355368

Cc1ncc(-c2csc(Oc3ccc(N)c(F)c3)n2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABL1 P00519 2/20 0.32
POLB P06746 3/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GCK P35557 3/20 0.32
SCN9A Q15858 3/20 0.31
SCN5A Q14524 1/20 0.31
EIF4E P06730 1/20 0.30

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
SCHEMBL23355333 0.90 RAB9A (0.38) LTA4HCDC25ACDC25BNPC1RAB9A
SCHEMBL24037694 0.84 CDC25A (0.39) LTA4HCDC25ACDC25BNPC1RAB9A
SCHEMBL29834757 0.84 CDC25A (0.39) LTA4HCDC25ACDC25BNPC1RAB9A
SCHEMBL24037371 0.81 CDC25A (0.44) LTA4HCDC25ACDC25BNPC1RAB9A
SCHEMBL23368205 0.78 CYP17A1 (0.38) SMN1; SMN2MEN1KMT2AABL1MAPT
SCHEMBL29834678 0.77 CDC25A (0.35) LTA4HCDC25ACDC25BNPC1RAB9A
SCHEMBL23355401 0.72 MEN1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24037516 0.71 PIK3CD (0.42)
SCHEMBL24037369 0.70 ALDH1A1 (0.34) LTA4HALDH1A1GCKSCN9A
SCHEMBL27299775 0.69 TRPV3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 EP disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 EP disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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 (2 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 LTA4H 4495/4885CDC25A 1131/4885CDC25B 878/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 LTA4H 2340/4885CDC25A 1358/4885CDC25B 1218/4885

“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.