SCHEMBL10293333

SCHEMBL10293333

CCOc1nc2ccccc2nc1-c1cccc(CCCC(C)(C)c2csc(CC)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10293179 0.88 KDM4E (0.31) KDM4ELMNAHSD17B10
SCHEMBL10292889 0.86 MAPK14 (0.33) MAPK14HRH4
SCHEMBL10292918 0.84 MAPK14 (0.35) MAPK14KDM4EHRH4
SCHEMBL10292916 0.84 HRH4 (0.36) MAPK14HRH4MEN1KMT2A
SCHEMBL10292907 0.83 HRH4 (0.35) MAPK14HRH4MEN1KMT2A
SCHEMBL8009977 0.80 L3MBTL1 (0.34) KDM4ELMNA
SCHEMBL10260261 0.78 NAMPT (0.32)
SCHEMBL10293076 0.76 NAMPT (0.32) MAPK14
SCHEMBL10292955 0.73 SLC6A3 (0.33) MAPK14HRH4MEN1KMT2A
SCHEMBL10292932 0.73 SLC6A3 (0.33) MAPK14KDM4EHRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 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 (1 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 MAPK14 3100/4885KDM4E 557/4885LMNA 2833/4885

“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.