SCHEMBL86082

SCHEMBL86082

NC(=O)/C(=C1\Nc2ccc(C(=O)N3CCNCC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
SLC6A7 Q99884 1/20 0.38
ADRB1 P08588 1/20 0.37
SCN9A Q15858 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
RAD52 P43351 1/20 0.36
UBE2N P61088 1/20 0.36
PKM P14618 1/20 0.36
SCN7A Q01118 3/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATR Q13535 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33

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
SCHEMBL85792 0.91 KCNH2 (0.41) KCNH2SLC6A7L3MBTL1PKMTLR9
SCHEMBL86189 0.90 SLC6A7 (0.37) KCNH2SLC6A7SCN9APKMABL1
SCHEMBL77181 0.87 KCNH2 (0.43) KCNH2SLC6A7ADRB1SCN9AL3MBTL1
SCHEMBL77182 0.87 KCNH2 (0.43) KCNH2SLC6A7ADRB1SCN9AL3MBTL1
SCHEMBL86188 0.87 KCNH2 (0.43) KCNH2SLC6A7ADRB1SCN9AL3MBTL1
SCHEMBL86089 0.87 LOXL2 (0.41) KCNH2SLC6A7SCN9A
SCHEMBL77867 0.84 SYK (0.37) SYK
SCHEMBL77868 0.84 SYK (0.37) SYK
SCHEMBL86060 0.84 ICAM1 (0.37) ADRB1
SCHEMBL86063 0.84 IKBKB (0.38) ADRB1PKMKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 KCNH2 1118/4885SLC6A7 3358/4885ADRB1 3413/4885

“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.