SCHEMBL86445

SCHEMBL86445

COC(=O)c1ccc2c(c1)N/C(=C(/C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
SDHB P21912 1/20 0.35
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALOX5 P09917 1/20 0.33
DYRK1A Q13627 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
SCHEMBL85787 0.88 SYK (0.39) SYKSMN1; SMN2
SCHEMBL76945 0.88 SYK (0.39) SYKSMN1; SMN2
SCHEMBL76946 0.88 SYK (0.39) SYKSMN1; SMN2
SCHEMBL86020 0.83 BACE1 (0.42) SYKALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL85790 0.82 KMO (0.35) SYK
SCHEMBL86019 0.82 PDGFRB (0.37) SYK
SCHEMBL75928 0.81 TAS2R14 (0.38) SYK
SCHEMBL86040 0.81 FLT3 (0.41) SYKLMNA
SCHEMBL86039 0.81 KCNH2 (0.42) L3MBTL1MEN1KMT2A
SCHEMBL85789 0.81 PLAU (0.33) 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 2 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-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

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 SYK 716/4885ALDH1A1 1651/4885HTT 4114/4885

“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.