SCHEMBL86096

SCHEMBL86096

NC(=O)C(=C1Nc2ccccc2N1)c1ncc(C(=O)NCCN2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
KDM5B Q9UGL1 1/20 0.45
BCL3 P20749 4/20 0.44
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 2/20 0.42
HPGDS O60760 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL85818 0.95 BCL3 (0.45) BCL3KMT2ASMN1; SMN2
SCHEMBL86501 0.90 PDE4B (0.47) PDE4BBCL3CD274KMT2AHPGDS
SCHEMBL86094 0.90 PDE4B (0.44) PDE4BKDM5BBCL3CD274KMT2A
SCHEMBL86219 0.86 TYRO3 (0.46) PDE4BSMN1; SMN2
SCHEMBL86107 0.85 BCL3 (0.42) PDE4BBCL3KMT2ASMN1; SMN2
SCHEMBL86078 0.77 CD274 (0.47) CD274KMT2AHPGDSMEN1
SCHEMBL86172 0.75 MAPT (0.43) KMT2A
SCHEMBL76750 0.72 KMT2A (0.50) CD274KMT2ASMN1; SMN2MEN1
SCHEMBL76751 0.72 KMT2A (0.50) CD274KMT2ASMN1; SMN2MEN1
SCHEMBL85984 0.72 KMT2A (0.50) CD274KMT2ASMN1; SMN2MEN1

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 PDE4B 1913/4885KDM5B 1313/4885BCL3 1315/4885

“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.