SCHEMBL15042874

SCHEMBL15042874

CC(C)c1cnc2ccc3[nH]c(C(C)C)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
SLC2A1 P11166 1/20 0.48
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TOP2A P11388 2/20 0.33
GAA P10253 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL15042848 0.78 DHFR (0.35) DHFRSLC2A1SCN10A
SCHEMBL15042879 0.78 DHFR (0.44) DHFRSLC2A1KIF11KDM4EGAA
SCHEMBL890257 0.77 SCN10A (0.36) DHFRSLC2A1KIF11KDM4ESCN10A
SCHEMBL15042884 0.76 KIF11 (0.41) DHFRSLC2A1KIF11KDM4ETOP2A
SCHEMBL15042881 0.74 DHFR (0.46) DHFRSLC2A1KIF11KDM4EGAA
SCHEMBL15042886 0.71 DHFR (0.52) DHFRSLC2A1KIF11KDM4EALDH1A1
SCHEMBL13560749 0.70 KIF11 (0.47) DHFRSLC2A1KIF11KDM4EGAA
SCHEMBL11290383 0.70 MEN1 (0.51) KDM4EALDH1A1MAPT
SCHEMBL15042890 0.70 DHFR (0.45) DHFRSLC2A1GABRPGABRDGABRA1
SCHEMBL12294455 0.70 HSD17B10 (0.40) KDM4ESCN10AALDH1A1HTTMLKL

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 3 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-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 4331/4885KIF11 2914/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 284/4885SLC2A1 4753/4885KIF11 2163/4885

“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.