SCHEMBL13560740

SCHEMBL13560740

CC(C)c1ccc2c(ccc3cc(C(C)C)[nH]c32)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
SLC2A1 P11166 1/20 0.37
TLR7 Q9NYK1 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
TGFBR1 P36897 1/20 0.30
AURKB Q96GD4 1/20 0.30
EIF4A3 P38919 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
SCHEMBL13561504 0.84 CYP1A2 (0.40) DHFRSLC2A1
SCHEMBL13561549 0.84 CYP19A1 (0.40) AAK1AURKAAURKBEIF4A3
SCHEMBL15042830 0.79 NOS3 (0.31) DHFRSLC2A1
SCHEMBL15042886 0.78 DHFR (0.52) DHFRSLC2A1AURKAPDPK1TGFBR1
SCHEMBL15042856 0.75 EIF4A3 (0.36) DHFRSLC2A1EIF4A3
SCHEMBL13560733 0.75 GRM4 (0.33) DHFRSLC2A1
SCHEMBL12294459 0.74 KDM4E (0.39)
SCHEMBL13561518 0.74 ALDH1A1 (0.38)
SCHEMBL12771439 0.73 TSHR (0.36) DHFRSLC2A1
SCHEMBL15042848 0.73 DHFR (0.35) 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 6 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
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 US disclosed
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 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 (3 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 4331/4885TLR7 2544/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 284/4885SLC2A1 4753/4885TLR7 553/4885
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 233/4885SLC2A1 4454/4885TLR7 1338/4885

“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.