SCHEMBL2217033

SCHEMBL2217033

COC(=O)c1sc(C#CC(C)(C)C)cc1NNC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.34
MAPK14 Q16539 8/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12520073 0.79 RAF1 (0.54) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14645197 0.78 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2217262 0.78 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL669880 0.76 RAF1 (0.36) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101454 0.76 RAF1 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10206102 0.75 SMN1; SMN2 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL15130800 0.74 MAPK14 (0.34) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL670420 0.74 MAPK14 (0.34) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL670419 0.74 MAPK14 (0.34) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101448 0.74 KDM4E (0.45) RAF1MAPK14MAPTKDM4EMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
EP-2523951-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-11-21 EP disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO 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-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885MAPK14 2109/4885MAPK13 2214/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885MAPK14 2109/4885MAPK13 2214/4885

“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.