SCHEMBL668933

SCHEMBL668933

COC(=O)c1sc(C#CC(C)(C)C)cc1N(C)c1ccnn1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 2/20 0.34
CYP2E1 P05181 1/20 0.33
RAF1 P04049 4/20 0.32
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL675139 0.82 NR1I2 (0.34) NR1I2CYP2E1RAF1
SCHEMBL671251 0.80 NR1I2 (0.34) NR1I2CYP2E1RAF1
SCHEMBL669904 0.80 RAF1 (0.43) KMT2ANR1I2CYP2E1RAF1NPC1
SCHEMBL15511618 0.80 NR1I2 (0.35) NR1I2CYP2E1RAF1
SCHEMBL669158 0.76 CYP2E1 (0.33) NR1I2CYP2E1RAF1
SCHEMBL669610 0.75 CSNK2A2 (0.32) NR1I2CYP2E1
SCHEMBL668932 0.75 KDM4C (0.39) MEN1KMT2ARAF1
SCHEMBL672579 0.74 CYP2E1 (0.54) MEN1KMT2ANR1I2CYP2E1
SCHEMBL672580 0.74 CYP2E1 (0.54) MEN1KMT2ANR1I2CYP2E1
SCHEMBL668662 0.73 KDM4E (0.33) NR1I2CYP2E1RAF1

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 MEN1 4453/4885KMT2A 4550/4885NR1I2 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.