SCHEMBL77335

SCHEMBL77335

CCc1c(N)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
TDP1 Q9NUW8 6/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 4/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4365843 0.90 POLB (0.48) POLBHTTMEN1KMT2AUSP2
SCHEMBL11794035 0.89 POLB (0.47) POLBHTTMEN1KMT2AUSP2
SCHEMBL6834458 0.87 ALDH1A1 (0.45) POLBHTTMEN1KMT2AUSP2
SCHEMBL8216008 0.84 TDP1 (0.54) POLBHTTMEN1KMT2AGRIN2D
SCHEMBL27489980 0.84 TDP1 (0.42) POLBHTTMEN1KMT2AUSP2
SCHEMBL18509214 0.83 GRIN2D (0.39) POLBHTTMEN1KMT2AUSP2
Bromide SCHEMBL27462679 0.83 TDP1 (0.41) POLBHTTMEN1KMT2AUSP2
SCHEMBL1538857 0.81 ALDH1A1 (0.51) POLBHTTMEN1KMT2AUSP2
SCHEMBL6835935 0.80 POLB (0.50) POLBHTTMEN1KMT2AUSP2
SCHEMBL6036699 0.78 ALDH1A1 (0.47) POLBHTTMEN1KMT2ATDP1

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 2 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

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 POLB 2376/4885HTT 4114/4885MEN1 3485/4885

“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.