SCHEMBL78078

SCHEMBL78078

CCN(C(=O)CN1CCCCC1)c1ccc2c(c1)N/C(=C(\C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC27A1 Q6PCB7 1/20 0.32
TGFBR1 P36897 2/20 0.31
HTT P42858 1/20 0.30
POLQ O75417 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL78079 1.00 KMT2A (0.33) KMT2ASMN1; SMN2MEN1ALDH1A1SLC27A1
SCHEMBL86079 1.00 KMT2A (0.33) KMT2ASMN1; SMN2MEN1ALDH1A1SLC27A1
SCHEMBL78608 0.85 POLQ (0.33) POLQ
SCHEMBL78609 0.85 POLQ (0.33) POLQ
SCHEMBL86098 0.85 POLQ (0.33) POLQ
SCHEMBL78248 0.83 POLQ (0.34) POLQ
SCHEMBL78246 0.83 POLQ (0.34) POLQ
SCHEMBL86507 0.83 POLQ (0.34) POLQ
SCHEMBL78247 0.83 POLQ (0.34) POLQ
SCHEMBL86506 0.82 POLQ (0.33) POLQHDAC1HDAC8HDAC6

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 claimed
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 claimed

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 KMT2A 378/4885SMN1; SMN2 3379/4885MEN1 3485/4885

“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.