SCHEMBL163856

SCHEMBL163856

NC(=O)c1sccc1NC(=O)C(F)(F)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.45
MAPK10 P53779 2/20 0.45
PKM P14618 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IKBKB O14920 3/20 0.39
KCNN4 O15554 1/20 0.38

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
SCHEMBL13789352 0.80 KMT2A (0.61) MAPK8MAPK10PKMALDH1A1MEN1
SCHEMBL166147 0.78 MAPK8 (0.60) MAPK8MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL165620 0.76 MAPK14 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL159515 0.75 AGTR1 (0.50) MAPK8MAPK10PKMALDH1A1MEN1
SCHEMBL167175 0.75 GRIK1 (0.44) MAPK8MAPK10PKMALDH1A1MEN1
SCHEMBL2593851 0.72 MAPK8 (0.64) MAPK8MAPK10PKMALDH1A1MEN1
SCHEMBL163352 0.71 KCNMA1 (0.45) MEN1KMT2AGAAIKBKBKCNN4
SCHEMBL166771 0.71 MAPK10 (0.45) MAPK10PKMMEN1KMT2AKDM4E
SCHEMBL13789391 0.70 IRAK4 (0.46) MAPK8MAPK10PKMALDH1A1MEN1
SCHEMBL16011480 0.70 PKM (0.57) MAPK8MAPK10PKMALDH1A1MEN1

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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MAPK8 461/4885MAPK10 467/4885PKM 533/4885

“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.