SCHEMBL668932

SCHEMBL668932

COC(=O)c1sc(C#CC(C)(C)C)cc1NCc1ccnn1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
HPGDS O60760 1/20 0.36
PDE10A Q9Y233 3/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
RAF1 P04049 6/20 0.34
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPK14 Q16539 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
SCHEMBL670261 0.82 MCHR1 (0.35) RAF1KDM4E
SCHEMBL668661 0.81 TRPM5 (0.38) RAF1
SCHEMBL669609 0.80 MEN1 (0.38) KMT2AL3MBTL1MEN1PDE10ARAF1
SCHEMBL669903 0.80 RAF1 (0.44) HPGDSPDE10ARAF1MAPK14
SCHEMBL10206988 0.77 KDM4C (0.42) KDM4CKMT2AL3MBTL1MEN1HPGDS
SCHEMBL668933 0.75 MEN1 (0.38) KMT2AMEN1RAF1
SCHEMBL669157 0.74 RAF1 (0.37) L3MBTL1RAF1KDM4EMAPK14
SCHEMBL1441015 0.74 RAF1 (0.33) RAF1MAPK14
SCHEMBL669791 0.74 KDM4E (0.40) KMT2AL3MBTL1KDM4E
SCHEMBL670263 0.74 RAF1 (0.33) RAF1ABL1SRCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
EP-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 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 (1 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-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 KDM4C 4253/4885KMT2A 4550/4885L3MBTL1 3293/4885

“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.