SCHEMBL15042886

SCHEMBL15042886

CC(C)c1ccc2c(ccc3[nH]c(C(C)C)cc32)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.52
SLC2A1 P11166 1/20 0.52
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
C5 P01031 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4D Q08499 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
AURKB Q96GD4 1/20 0.33
KIF11 P52732 1/20 0.32
CSF1R P07333 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15042878 0.79 DHFR (0.47) DHFRSLC2A1MEN1KMT2AAURKA
SCHEMBL13560740 0.78 DHFR (0.37) DHFRSLC2A1AURKAPDPK1TGFBR1
SCHEMBL15042890 0.74 DHFR (0.45) DHFRSLC2A1
SCHEMBL13560750 0.73 DHFR (0.50) DHFRSLC2A1AURKAKIF11
SCHEMBL19485892 0.72 ALDH1A1 (0.39) DHFRSLC2A1MAPTHSD17B10KDM4E
SCHEMBL15042944 0.72 HSD17B10 (0.41) DHFRSLC2A1HSD17B10KDM4ELMNA
SCHEMBL15042904 0.72 DHFR (0.52) DHFRSLC2A1MEN1KMT2AHSD17B10
SCHEMBL13561493 0.71 DHFR (0.44) DHFRSLC2A1MAPTKIF11HSD17B10
SCHEMBL13560749 0.71 KIF11 (0.47) DHFRSLC2A1PTGS2MEN1ABCC4
SCHEMBL15042874 0.71 DHFR (0.48) DHFRSLC2A1MAPTKIF11KDM4E

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 4331/4885PTGS2 2005/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 284/4885SLC2A1 4753/4885PTGS2 3985/4885

“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.