SCHEMBL86053

SCHEMBL86053

NC(=O)/C(=C1\Nc2ccc(C(=O)N3CCC(N)CC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
PKM P14618 1/20 0.36
LOX P28300 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
SYK P43405 2/20 0.36
SPR P35270 2/20 0.35
CLEC4M Q9H2X3 1/20 0.35
KCNH2 Q12809 1/20 0.35
AKT1 P31749 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
FLT3 P36888 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL86190 0.95 LOXL2 (0.42) SLC6A7PKMLOXLOXL2PDGFRB
SCHEMBL77182 0.89 KCNH2 (0.43) SLC6A7PKMKCNH2ABL1BCR
SCHEMBL86188 0.89 KCNH2 (0.43) SLC6A7PKMKCNH2ABL1BCR
SCHEMBL77181 0.89 KCNH2 (0.43) SLC6A7PKMKCNH2ABL1BCR
SCHEMBL86039 0.89 KCNH2 (0.42) SLC6A7PKMKCNH2ABL1BCR
SCHEMBL86189 0.87 SLC6A7 (0.37) SLC6A7PKMLOXLOXL2GAA
SCHEMBL86089 0.82 LOXL2 (0.41) SLC6A7LOXLOXL2KDRKCNH2
SCHEMBL76945 0.82 SYK (0.39) SYK
SCHEMBL76946 0.82 SYK (0.39) SYK
SCHEMBL85787 0.82 SYK (0.39) 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.