SCHEMBL77182

SCHEMBL77182

NC(=O)C(=C1Nc2ccc(C(=O)N3CCNCC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
SLC6A7 Q99884 1/20 0.39
ADRB1 P08588 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RAD52 P43351 1/20 0.38
UBE2N P61088 1/20 0.38
PKM P14618 1/20 0.38
ABL1 P00519 2/20 0.37
RIPK1 Q13546 1/20 0.36
SCN9A Q15858 4/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN7A Q01118 3/20 0.35
ATR Q13535 1/20 0.35
BCR P11274 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAP3K11 Q16584 1/20 0.35

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
SCHEMBL86188 1.00 KCNH2 (0.43) KCNH2SLC6A7ADRB1L3MBTL1RAD52
SCHEMBL77181 1.00 KCNH2 (0.43) KCNH2SLC6A7ADRB1L3MBTL1RAD52
SCHEMBL86039 0.90 KCNH2 (0.42) KCNH2SLC6A7L3MBTL1PKMABL1
SCHEMBL86053 0.89 SLC6A7 (0.38) KCNH2SLC6A7PKMABL1BCR
SCHEMBL86082 0.87 KCNH2 (0.41) KCNH2SLC6A7ADRB1L3MBTL1RAD52
SCHEMBL86190 0.86 LOXL2 (0.42) KCNH2SLC6A7PKMSCN9A
SCHEMBL76945 0.83 SYK (0.39)
SCHEMBL85787 0.83 SYK (0.39)
SCHEMBL76946 0.83 SYK (0.39)
SCHEMBL86194 0.81 SMYD3 (0.48)

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 KCNH2 1118/4885SLC6A7 3358/4885ADRB1 3413/4885

“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.