SCHEMBL12515273

SCHEMBL12515273

Cc1cnc(-c2ccc3[nH]nc(C=O)c3c2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ JAK2 O60674 5/20 0.38
▸ KDR P35968 4/20 0.37
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ MAP2K4 P45985 3/20 0.33
▸ MAPKAPK3 Q16644 3/20 0.33
▸ MAPK6 Q16659 3/20 0.33
▸ MAPKAPK2 P49137 2/20 0.33
▸ MAPKAPK5 Q8IW41 2/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ WNT1 P04628 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
SCHEMBL13946440 0.90 KDR (0.43) DYRK1AGSK3BKDRFGFR1PDE10A
SCHEMBL13183133 0.80 HTR1D (0.43) DYRK1AJAK2CLK2CLK3MAPK1
SCHEMBL1176377 0.79 PRKAG1 (0.55) DYRK1AGSK3BCLK2CLK3HDAC4
SCHEMBL13183062 0.73 CHEK1 (0.47) JAK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5953047 0.73 MAP2K4 (0.49) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL13183156 0.72 JAK2 (0.61) DYRK1AGSK3BJAK2CLK2CLK3
SCHEMBL17860612 0.72 JAK2 (0.68) DYRK1AGSK3BJAK2
SCHEMBL11913101 0.71 JAK2 (0.46) DYRK1AJAK2KDRCLK2MAPK1
SCHEMBL1176331 0.71 GSK3B (0.44) DYRK1AGSK3BMMP12HDAC4
SCHEMBL13183137 0.71 JAK2 (0.44) DYRK1AGSK3BJAK2KDRCLK2

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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 — — 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 (2 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-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF CHRNA7, CHRNA1, CHRNA5 DYRK1A 2107/4885GSK3B 1110/4885JAK2 2400/4885
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885GSK3B 920/4885JAK2 1993/4885

“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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