SCHEMBL18228273

SCHEMBL18228273

CC(C)(C)OC(=O)Nc1cc(C(N)c2cccnc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.45
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ AAK1 Q2M2I8 6/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ NR2C2 P49116 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ TAB1 Q15750 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38
▸ BMP2K Q9NSY1 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ GSK3A P49840 1/20 0.36

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
SCHEMBL18228461 0.86 NAMPT (0.46) NAMPTRAB9AMAPK1GSK3BDYRK1A
SCHEMBL2808080 0.78 ATR (0.44) NAMPTMAPK1IRAK4AAK1GSK3B
SCHEMBL15070169 0.78 ATR (0.44) MAPK1IRAK4AAK1GSK3BDYRK1A
SCHEMBL28741827 0.77 ATR (0.43) MAPK1IRAK4AAK1GSK3BDYRK1A
SCHEMBL29626780 0.77 ATR (0.43) MAPK1IRAK4AAK1GSK3BDYRK1A
SCHEMBL27962539 0.77 ATR (0.43) MAPK1IRAK4AAK1ROCK2MKNK2
SCHEMBL22945805 0.77 ATR (0.43) MAPK1IRAK4AAK1GSK3BDYRK1A
SCHEMBL30953559 0.77 AAK1 (0.42) IRAK4AAK1ROCK2MKNK2GAK
SCHEMBL27955914 0.76 ATR (0.42) MAPK1IRAK4AAK1GSK3BDYRK1A
SCHEMBL30953376 0.76 TGFBR1 (0.41) MAPK1IRAK4AAK1GSK3BDYRK1A

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 — — EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 NAMPT 341/4885RAB9A 1511/4885MAPK1 906/4885

“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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