SCHEMBL2218672

SCHEMBL2218672

COC(=O)c1sc(C#CC(C)(C)C)cc1NN(C)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
RAF1 P04049 3/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
KDM4E B2RXH2 4/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
PTPN1 P18031 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL2217262 0.80 RAF1 (0.35) ALDH1A1RAF1MAPK14MAPK13MAPK12
SCHEMBL937331 0.75 ACACB (0.41)
SCHEMBL14645197 0.71 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL318825 0.70 RAF1 (0.32) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12949449 0.70 P2RY14 (0.36) ALDH1A1RAF1MAPK14MAPK13MAPK12
SCHEMBL671251 0.69 NR1I2 (0.34) RAF1SMN1; SMN2
SCHEMBL669880 0.69 RAF1 (0.36) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101454 0.69 RAF1 (0.39) ALDH1A1RAF1MAPK14MAPK13MAPK12
SCHEMBL12909842 0.69 CHRNB2 (0.41) KDM4EHPGD
SCHEMBL10206102 0.69 SMN1; SMN2 (0.39) ALDH1A1RAF1MAPK14MAPK13MAPK12

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 7 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-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
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
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 ALDH1A1 462/4885RAF1 1470/4885MAPK14 2109/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885RAF1 1470/4885MAPK14 2109/4885

“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.