SCHEMBL163466

SCHEMBL163466

Cc1cc(C(N)=O)c(NC(=O)C(F)(F)c2ccc(F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.54
IKBKB O14920 4/20 0.54
MEN1 O00255 1/20 0.54
EIF2AK2 P19525 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CFTR P13569 2/20 0.51
CHEK1 O14757 2/20 0.43
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL166147 0.78 MAPK8 (0.60)
SCHEMBL163352 0.76 KCNMA1 (0.45) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL16263805 0.76 CFTR (0.55) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL167175 0.75 GRIK1 (0.44) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL165620 0.73 MAPK14 (0.51) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL11921318 0.73 IKBKB (0.59) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL159515 0.72 AGTR1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL16261522 0.72 ALDH1A1 (0.60) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL5455703 0.71 SMN1; SMN2 (0.49) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL5898645 0.71 IKBKB (0.80) JAK2IKBKBMEN1EIF2AK2KMT2A

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 JAK2 1/4885IKBKB 668/4885MEN1 3037/4885

“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.