SCHEMBL19699553

SCHEMBL19699553

CC(C)C(=O)Nc1cc(-c2cnn(C)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.57
GSK3B P49841 16/20 0.57
WNT1 P04628 15/20 0.57
EP300 Q09472 1/20 0.53
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51
ABL1 P00519 1/20 0.50

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
SCHEMBL19699525 0.84 GSK3B (0.50) DYRK1AGSK3BWNT1EP300ABL1
SCHEMBL19699545 0.80 EP300 (0.46) DYRK1AGSK3BWNT1EP300BRD4
SCHEMBL24358102 0.79 DYRK1A (0.48) DYRK1AGSK3BWNT1EP300BRD4
SCHEMBL24932350 0.78 EGFR (0.61) GSK3B
SCHEMBL19699521 0.78 DYRK1A (0.48) DYRK1AGSK3BWNT1
SCHEMBL19706568 0.78 BRD4 (0.44) DYRK1AGSK3BWNT1EP300BRD4
SCHEMBL28508343 0.78 FYN (0.49) DYRK1AGSK3BWNT1BRD4CREBBP
SCHEMBL19699587 0.78 PIK3C3 (0.43) GSK3BEP300ABL1
SCHEMBL21285738 0.77 WNT1 (0.74) DYRK1AGSK3BWNT1EP300
SCHEMBL19699600 0.77 MKNK1 (0.55) DYRK1A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 3048/4885GSK3B 2322/4885WNT1 3338/4885

“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.