SCHEMBL15042901

SCHEMBL15042901

CC(C)c1cc2c(ccc3sc(C(C)C)nc32)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
SLC2A1 P11166 1/20 0.45
MAPK1 P28482 1/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
KIF11 P52732 1/20 0.34
ACACB O00763 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL15042858 0.79 TLR8 (0.32) TLR8TLR7ACACB
SCHEMBL13560750 0.78 DHFR (0.50) DHFRSLC2A1TLR8TLR7KIF11
SCHEMBL19598886 0.76 TLR8 (0.42) TLR8TLR7ACACBNPC1RAB9A
SCHEMBL15042903 0.73 DHFR (0.41) DHFRSLC2A1KIF11MEN1ALDH1A1
SCHEMBL15042878 0.72 DHFR (0.47) DHFRSLC2A1MAPK1NPC1RAB9A
SCHEMBL12210439 0.71 XIAP (0.51) MAPK1TLR8TLR7NPC1RAB9A
SCHEMBL19486070 0.70 DHFR (0.39) DHFRSLC2A1
SCHEMBL13561509 0.69 DHFR (0.50) DHFRSLC2A1MAPK1NPC1RAB9A
SCHEMBL15042879 0.69 DHFR (0.44) DHFRSLC2A1TLR8TLR7KIF11
SCHEMBL15042916 0.69 DHFR (0.44) DHFRSLC2A1

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-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 DHFR 69/4885SLC2A1 4331/4885MAPK1 4737/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 284/4885SLC2A1 4753/4885MAPK1 4775/4885

“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.