SCHEMBL17679777

SCHEMBL17679777

[2H]C([2H])([2H])c1cc2c(C(=N)N)ccnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ CHUK O15111 8/20 0.33
▸ IKBKB O14920 7/20 0.33
▸ INSR P06213 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ CIT O14578 5/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ AURKAIP1 Q9NWT8 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ HIPK4 Q8NE63 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ BMP2K Q9NSY1 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31

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
SCHEMBL16908237 0.89 CCNK (0.44) CCNKCDK12CHUKIKBKBPIK3C3
Acetic Acid SCHEMBL15646249 0.86 CIT (0.40) CCNKCDK12CHUKIKBKBINSR
SCHEMBL16908342 0.78 CHUK (0.44) CCNKCDK12CHUKIKBKBINSR
SCHEMBL15645111 0.74 IKBKB (0.41) CCNKCDK12CHUKIKBKBPIK3C3
SCHEMBL16908324 0.73 CIT (0.42) CCNKCDK12CHUKIKBKBINSR
SCHEMBL19880896 0.73 CHUK (0.34) CCNKCDK12CHUKIKBKBINSR
SCHEMBL15645163 0.73 CHUK (0.44) CCNKCDK12CHUKIKBKBINSR
Acetic Acid SCHEMBL28045010 0.73 CIT (0.44) CCNKCDK12CHUKIKBKBINSR
Hydrochloric Acid SCHEMBL16897121 0.72 CIT (0.41) CCNKCDK12CHUKIKBKBINSR
SCHEMBL16908234 0.72 IKBKB (0.45) CHUKIKBKBCIT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 — — 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE CCNK 283/4885CDK12 744/4885CHUK 266/4885

“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.

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