SCHEMBL165620

SCHEMBL165620

CC(C)(C)c1cc(NC(=O)C(F)(F)c2ccc(F)cc2)c(C(N)=O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
IKBKB O14920 3/20 0.46
IRAK4 Q9NWZ3 1/20 0.42
RXFP1 Q9HBX9 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAF1 P04049 8/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CFTR P13569 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHUK O15111 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
JAK2 O60674 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
SCHEMBL163856 0.76 MAPK8 (0.45) IKBKBIRAK4NPSR1KMT2ANPC1
SCHEMBL167175 0.76 GRIK1 (0.44) IKBKBCFTRKMT2ANPC1RAB9A
SCHEMBL163352 0.74 KCNMA1 (0.45) IKBKBCFTRKMT2AMEN1JAK2
SCHEMBL166771 0.74 MAPK10 (0.45) IKBKBNPSR1KMT2ANPC1RAB9A
SCHEMBL163466 0.73 JAK2 (0.54) IKBKBCFTRKMT2AMEN1JAK2
SCHEMBL159515 0.73 AGTR1 (0.50) KMT2ANPC1RAB9ACYP1A2CYP2C19
SCHEMBL165687 0.71 KDM4E (0.53) CFTRKMT2ANPC1RAB9ACYP1A2
SCHEMBL3242545 0.69 MAPK14 (0.76) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL166147 0.69 MAPK8 (0.60) NPC1RAB9A
SCHEMBL3245607 0.68 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11

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 MAPK14 349/4885IKBKB 668/4885IRAK4 32/4885

“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.