SCHEMBL1175956

SCHEMBL1175956

Cc1ccc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C[C@@H]4N5C)c3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.41
▸ GSK3B P49841 13/20 0.41
▸ CLK2 P49760 3/20 0.38
▸ CLK3 P49761 3/20 0.38
▸ WNT1 P04628 3/20 0.37

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
SCHEMBL5038892 0.89 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1175540 0.89 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
Formic Acid SCHEMBL5562289 0.85 DYRK1A (0.39) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1176152 0.82 JAK2 (0.38) DYRK1AGSK3BCLK2CLK3
SCHEMBL5039448 0.82 JAK2 (0.38) DYRK1AGSK3BCLK2CLK3
SCHEMBL4261851 0.80 DYRK1A (0.43) DYRK1AGSK3BCLK2CLK3WNT1
Formic Acid SCHEMBL5563840 0.79 JAK2 (0.36) DYRK1AGSK3BCLK2CLK3
SCHEMBL2013744 0.78 KDM4E (0.46) —
SCHEMBL1176398 0.77 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL5043123 0.77 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3WNT1

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-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
US-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-02-03 — — 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-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885GSK3B 608/4885CLK2 1801/4885

“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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