SCHEMBL86189

SCHEMBL86189

NC(=O)/C(=C1\Nc2ccc(C(=O)N3CCC(N)CC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.37
PKM P14618 1/20 0.35
LOX P28300 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
FLT3 P36888 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPR P35270 2/20 0.34
SCN9A Q15858 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
KCNH2 Q12809 1/20 0.33
AKT1 P31749 1/20 0.33
SYK P43405 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 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
SCHEMBL86089 0.95 LOXL2 (0.41) SLC6A7LOXLOXL2SCN9AKCNH2
SCHEMBL86082 0.90 KCNH2 (0.41) SLC6A7PKMSCN9AKCNH2SYK
SCHEMBL85792 0.89 KCNH2 (0.41) SLC6A7PKMKCNH2ABL1BCR
SCHEMBL86053 0.87 SLC6A7 (0.38) SLC6A7PKMLOXLOXL2FLT3
SCHEMBL86058 0.83 NR1H3 (0.36) SYKCYP2C19
SCHEMBL77868 0.83 SYK (0.37) SYK
SCHEMBL77867 0.83 SYK (0.37) SYK
SCHEMBL86190 0.82 LOXL2 (0.42) SLC6A7PKMLOXLOXL2SCN9A
SCHEMBL86462 0.79 SMYD3 (0.42) FLT3
SCHEMBL78710 0.79 SYK (0.32) SYK

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 SLC6A7 3358/4885PKM 556/4885LOX 1934/4885

“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.