SCHEMBL86435

SCHEMBL86435

COc1ccnc(/C(C(N)=O)=C2/Nc3ccccc3S2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.34
MAPT P10636 6/20 0.34
NOX1 Q9Y5S8 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 2/20 0.33
SNCA P37840 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
CYBB P04839 1/20 0.33
APP P05067 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NPC1 O15118 2/20 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
SCHEMBL86175 0.85 GAA (0.36) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL86014 0.83 NNMT (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL76734 0.83 GAA (0.41) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL76733 0.83 GAA (0.41) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL86431 0.81 GAA (0.38) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL86015 0.81 HIF1A (0.40) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL86170 0.81 GAA (0.37) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL86440 0.77 GAA (0.41) GAAMAPTNOX1SMN1; SMN2MEN1
SCHEMBL85802 0.76 CHUK (0.37) SMN1; SMN2HTTCDK2MAPK8
SCHEMBL86006 0.74 MAPT (0.40) GAAMAPTKMT2ALMNAKDM4E

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 GAA 2073/4885MAPT 3439/4885NOX1 2943/4885

“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.