SCHEMBL85790

SCHEMBL85790

NC(=O)C(=C1Nc2cc(F)c(F)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.35
SYK P43405 6/20 0.35
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34
JAK3 P52333 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
NTRK3 Q16288 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL86034 0.92 KMO (0.37) KMOSYKJAK2NTRK1RET
SCHEMBL75928 0.88 TAS2R14 (0.38) KMOSYKTAS2R14HDAC4PARP1
SCHEMBL86048 0.87 KMO (0.33) KMOSYK
SCHEMBL85787 0.85 SYK (0.39) SYKTAS2R14
SCHEMBL76946 0.85 SYK (0.39) SYKTAS2R14
SCHEMBL76945 0.85 SYK (0.39) SYKTAS2R14
SCHEMBL85789 0.84 PLAU (0.33) SYKHDAC4HDAC3NCOR1HDAC1
SCHEMBL86070 0.82 NR3C2 (0.34) SYKGSK3AGSK3BACVR1HDAC4
SCHEMBL86445 0.82 SYK (0.40) SYK
SCHEMBL86102 0.81 SYK (0.38) KMOSYKPARP1

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 KMO 1732/4885SYK 716/4885JAK2 133/4885

“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.