SCHEMBL86058

SCHEMBL86058

NC(=O)/C(=C1\Nc2ccc(N3CCC(N)C3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 9/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CA P42336 1/20 0.36
NR1H2 P55055 7/20 0.32
LCAT P04180 1/20 0.32
HTR2B P41595 2/20 0.32
HTR6 P50406 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
PARP1 P09874 1/20 0.32
ACACB O00763 1/20 0.32
SYK P43405 1/20 0.32
PRKCQ Q04759 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL86491 0.86 FGFR1 (0.36) NR1H3HRH3PARP1
SCHEMBL86087 0.85 PARP1 (0.37) NR1H3HRH4HRH3HTR1AHTR1D
SCHEMBL86089 0.85 LOXL2 (0.41) PARP1
SCHEMBL86494 0.85 SCN9A (0.36) IDH1
SCHEMBL86189 0.83 SLC6A7 (0.37) CYP2C19SYK
SCHEMBL78709 0.79 SYK (0.32) SYK
SCHEMBL78710 0.79 SYK (0.32) SYK
SCHEMBL86032 0.78 SNCA (0.33) SYK
SCHEMBL77867 0.78 SYK (0.37) SYK
SCHEMBL77868 0.78 SYK (0.37) 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 NR1H3 4572/4885HRH4 2322/4885HRH3 2295/4885

“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.