SCHEMBL86102

SCHEMBL86102

NC(=O)/C(=C1\Nc2ccc(-c3ccccn3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.38
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMO O15229 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
CHEK2 O96017 1/20 0.35
MDM2 Q00987 1/20 0.34
TGFBR1 P36897 2/20 0.34
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 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
SCHEMBL75928 0.85 TAS2R14 (0.38) SYKKMOTGFBR1PARP1
SCHEMBL86101 0.83 DYRK1A (0.42) SYK
SCHEMBL85790 0.81 KMO (0.35) SYKKMOPARP1
SCHEMBL76945 0.81 SYK (0.39) SYKSMN1; SMN2
SCHEMBL85787 0.81 SYK (0.39) SYKSMN1; SMN2
SCHEMBL76946 0.81 SYK (0.39) SYKSMN1; SMN2
SCHEMBL85789 0.80 PLAU (0.33) SYK
SCHEMBL86070 0.78 NR3C2 (0.34) SYK
SCHEMBL78157 0.78 RAF1 (0.39) SYKTGFBR1
SCHEMBL86469 0.78 RAF1 (0.39) SYKTGFBR1

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 SYK 716/4885PDK2 163/4885SMN1; SMN2 3379/4885

“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.