SCHEMBL19699090

SCHEMBL19699090

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)C2CCN3CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.42
▸ WNT1 P04628 14/20 0.42
▸ GSK3B P49841 14/20 0.42
▸ BRAF P15056 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ KARS1 Q15046 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL16776301 0.91 GSK3B (0.39) DYRK1AWNT1GSK3BBRAFIMPDH2
SCHEMBL17618330 0.90 IMPDH2 (0.45) BRAFIMPDH2BRD4CREBBP
SCHEMBL16775780 0.89 IMPDH2 (0.37) DYRK1AWNT1GSK3BBRAFIMPDH2
SCHEMBL17624498 0.89 RHOA (0.40) DYRK1AWNT1GSK3BBRAFKARS1
SCHEMBL19706100 0.89 DYRK1A (0.39) DYRK1AWNT1GSK3BBRAFBRD4
SCHEMBL17618869 0.87 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17767959 0.87 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19699109 0.87 DYRK1A (0.39) DYRK1AWNT1GSK3BBRAFCLK2
SCHEMBL16776266 0.86 GAA (0.42) DYRK1AGSK3BKARS1CA9
SCHEMBL17618856 0.86 DYRK1A (0.39) DYRK1AWNT1GSK3BBRAFCLK2

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885WNT1 3363/4885GSK3B 1728/4885

“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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