SCHEMBL669904

SCHEMBL669904

COC(=O)c1sc(C#CC(C)(C)C)cc1N(C)c1ccn(C)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.43
JMJD6 Q6NYC1 1/20 0.34
NR1I2 O75469 2/20 0.34
CYP2E1 P05181 1/20 0.32
MAPK14 Q16539 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL673731 0.89 RAF1 (0.40) RAF1JMJD6
SCHEMBL15511618 0.80 NR1I2 (0.35) RAF1NR1I2CYP2E1
SCHEMBL668933 0.80 MEN1 (0.38) RAF1NR1I2CYP2E1NPC1PKM
SCHEMBL671251 0.79 NR1I2 (0.34) RAF1NR1I2CYP2E1
SCHEMBL675139 0.78 NR1I2 (0.34) RAF1NR1I2CYP2E1
SCHEMBL669610 0.78 CSNK2A2 (0.32) NR1I2CYP2E1
SCHEMBL670262 0.76 ALDH1A1 (0.33) NR1I2CYP2E1
SCHEMBL668662 0.76 KDM4E (0.33) RAF1NR1I2CYP2E1
SCHEMBL669903 0.76 RAF1 (0.44) RAF1JMJD6MAPK14
SCHEMBL15511366 0.75 CYP2E1 (0.53) RAF1NR1I2CYP2E1

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-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 RAF1 2116/4885JMJD6 4543/4885NR1I2 1347/4885

“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.