SCHEMBL12514838

SCHEMBL12514838

C=C1CC(NC(=O)c2n[nH]c3ccc(-c4nccs4)cc23)CCN1C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.55
▸ WNT1 P04628 14/20 0.52
▸ GSK3B P49841 1/20 0.48

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
SCHEMBL2086280 0.83 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL2086139 0.83 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL2087459 0.82 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL2087435 0.82 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL2087658 0.82 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL13069625 0.80 DYRK1A (0.52) DYRK1AWNT1GSK3B
SCHEMBL13069639 0.79 USP30 (0.62) DYRK1AWNT1
SCHEMBL13069632 0.78 USP30 (0.48) DYRK1AWNT1GSK3B
SCHEMBL1964401 0.77 CHRNA7 (0.63) DYRK1AWNT1GSK3B
SCHEMBL1964568 0.77 CHRNA7 (0.63) DYRK1AWNT1GSK3B

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 3 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-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885WNT1 1334/4885GSK3B 920/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885WNT1 1334/4885GSK3B 920/4885

“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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