SCHEMBL86006

SCHEMBL86006

COC(=O)c1cnc(/C(C(N)=O)=C2/Nc3ccccc3S2)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SRC P12931 2/20 0.33
SGK1 O00141 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RAF1 P04049 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
BLK P51451 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAP2K6 P52564 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
SCHEMBL77884 0.88 GAA (0.37) MAPTGAAALDH1A1KMT2AUSP2
SCHEMBL77885 0.88 GAA (0.37) MAPTGAAALDH1A1KMT2AUSP2
SCHEMBL86172 0.87 MAPT (0.43) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL10105401 0.84 HSD17B10 (0.34) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL79142 0.82 ALDH1A1 (0.36) GAAKDM4EALDH1A1KMT2A
SCHEMBL79141 0.82 ALDH1A1 (0.36) GAAKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL77231 0.81 ALDH1A1 (0.36) GAAKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL77232 0.81 ALDH1A1 (0.36) GAAKDM4EALDH1A1KMT2A
SCHEMBL86094 0.77 PDE4B (0.44) KMT2A
SCHEMBL86107 0.76 BCL3 (0.42) GAAKDM4EALDH1A1KMT2ALMNA

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.