SCHEMBL86172

SCHEMBL86172

COC(=O)c1cnc(C(C(N)=O)=C2Nc3ccccc3N2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
XPO1 O14980 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CNR2 P34972 2/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
ATF1 P18846 1/20 0.33
NFKB1 P19838 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
SCHEMBL86006 0.87 MAPT (0.40) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL92861 0.82 ALDH1A1 (0.35) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL77885 0.74 GAA (0.37) MAPTGAAALDH1A1KMT2AXPO1
SCHEMBL77884 0.74 GAA (0.37) MAPTGAAALDH1A1KMT2AXPO1
SCHEMBL85818 0.73 BCL3 (0.45) GAAKDM4EALDH1A1KMT2ALMNA
SCHEMBL10105401 0.71 HSD17B10 (0.34) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL15038313 0.70 KDM4E (0.72) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL76928 0.69 HSP90AA1 (0.40) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL79141 0.69 ALDH1A1 (0.36) GAAKDM4EALDH1A1KMT2A
SCHEMBL4592101 0.68 MAPT (0.57) MAPTGAAKDM4EALDH1A1KMT2A

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 MAPT 3439/4885GAA 2073/4885KDM4E 939/4885

“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.