SCHEMBL92861

SCHEMBL92861

COC(=O)Cc1cnc(C(C(N)=O)=C2Nc3ccccc3N2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PDK2 Q15119 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30
SYK P43405 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL86172 0.82 MAPT (0.43) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL85818 0.68 BCL3 (0.45) ALDH1A1HPGDGAAHSD17B10KDM4E
SCHEMBL76928 0.67 HSP90AA1 (0.40) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL77929 0.66 SMN1; SMN2 (0.37) ALDH1A1MAPTTDP1GAAHSD17B10
SCHEMBL77885 0.65 GAA (0.37) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL871601 0.63 POLQ (0.55) ALDH1A1TDP1GAAKDM4EHTT
SCHEMBL30474543 0.63 POLQ (0.55) ALDH1A1TDP1GAAKDM4EHTT
SCHEMBL85790 0.60 KMO (0.35) SYK
SCHEMBL8088577 0.59 L3MBTL1 (0.44) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL1554320 0.59 KDM4E (0.53) ALDH1A1MAPTHPGDTDP1HSD17B10

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 3 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-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 ALDH1A1 1651/4885MAPT 3439/4885HPGD 2547/4885

“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.