SCHEMBL86106

SCHEMBL86106

CN1CCN(S(=O)(=O)c2ccc3c(c2)S/C(=C(/C(N)=O)c2nccc(C(F)(F)F)n2)N3)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
PDE5A O76074 2/20 0.38
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 2/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PLAU P00749 1/20 0.36
HTT P42858 1/20 0.35
ILK Q13418 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 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
SCHEMBL86063 0.91 IKBKB (0.38) KDM4EKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL86087 0.85 PARP1 (0.37) KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL85792 0.84 KCNH2 (0.41) KMT2ATSHR
SCHEMBL86474 0.84 TBK1 (0.43)
SCHEMBL86104 0.82 SYK (0.40) KDM4EKMT2ALMNAHTTALDH1A1
SCHEMBL86083 0.81 HRH3 (0.39) KDM4EALDH1A1
SCHEMBL86037 0.80 HTR1A (0.41) GSK3BKMT2APLAU
SCHEMBL78710 0.79 SYK (0.32)
SCHEMBL78709 0.79 SYK (0.32)
SCHEMBL86496 0.78 EPHX2 (0.44) SMN1; SMN2ILKALDH1A1

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 KDM4E 939/4885PDE5A 3634/4885CCNE2 1160/4885

“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.