SCHEMBL86029

SCHEMBL86029

Cc1ccnc(C(C(N)=O)=C2Nc3ccccc3N2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
TGFBR1 P36897 1/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 3/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
IKBKB O14920 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL77929 0.84 SMN1; SMN2 (0.37) KMT2AALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL86014 0.83 NNMT (0.35) KMT2ATGFBR1NPC1RAB9AMAPT
SCHEMBL86175 0.82 GAA (0.36) KMT2AROCK2CDK2ALOX15SMN1; SMN2
SCHEMBL75928 0.80 TAS2R14 (0.38) TGFBR1PKM
SCHEMBL76928 0.76 HSP90AA1 (0.40) KMT2AALDH1A1POLBMAPTKDM4E
SCHEMBL2465653 0.71 KMT2A (0.50) KMT2ATGFBR1MAP4K4ALOX15SMN1; SMN2
SCHEMBL86172 0.68 MAPT (0.43) KMT2AALDH1A1MAPTKDM4EPKM
SCHEMBL22072451 0.68 KMT2A (0.42) KMT2ATGFBR1ALOX15MAPT
SCHEMBL85790 0.68 KMO (0.35) GSK3B
SCHEMBL86440 0.68 GAA (0.41) KMT2AALOX15SMN1; SMN2ALDH1A1POLB

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 KMT2A 378/4885TGFBR1 3765/4885CDC7 365/4885

“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.