Sugi Predict

Sugi Predict / Compounds / SCHEMBL15042884

SCHEMBL15042884

SCHEMBL15042884

CC(C)c1ccc2c(c1)ncc1[nH]c(C(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ DHFR P00374 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37

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
SCHEMBL15042849 0.78 KIF11 (0.36) KIF11DHFRSLC2A1AURKADAPK3
SCHEMBL15042874 0.76 DHFR (0.48) KIF11DHFRSLC2A1GABRA1GABRG2
SCHEMBL13560749 0.73 KIF11 (0.47) KIF11DHFRSLC2A1AURKADAPK3
SCHEMBL15042854 0.72 KIF11 (0.36) KIF11DHFRSLC2A1AURKADAPK3
SCHEMBL15042881 0.71 DHFR (0.46) KIF11DHFRSLC2A1EIF4A3SCN10A
SCHEMBL890257 0.70 SCN10A (0.36) KIF11DHFRSLC2A1AURKADAPK3
SCHEMBL28202913 0.70 KDM4E (0.56) KIF11KDM4ETOP2A
SCHEMBL15042888 0.70 AURKA (0.37) KIF11DHFRSLC2A1AURKADAPK3
SCHEMBL12294456 0.69 SCN10A (0.39) KIF11AURKADAPK3JAK2MAP4K4
SCHEMBL15042876 0.69 GABRA1 (0.40) DHFRSLC2A1GABRA1GABRG2GABRB3

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 KIF11 2914/4885DHFR 69/4885SLC2A1 4331/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KIF11 2163/4885DHFR 284/4885SLC2A1 4753/4885

“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.