SCHEMBL16776233

SCHEMBL16776233

COc1nccnc1NC(=O)N1c2nc(-c3ccnc(C)c3)ccc2NCC[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ PRKD1 Q15139 2/20 0.32
▸ PRKD2 Q9BZL6 2/20 0.32
▸ MTOR P42345 1/20 0.32
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31

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
SCHEMBL16776028 0.84 FGFR4 (0.38) DYRK1AWNT3AABL1MAPK1MTOR
SCHEMBL16776203 0.81 ABL1 (0.36) WNT3AABL1MAPK1PRKD1MTOR
SCHEMBL16776231 0.81 ABL1 (0.38) WNT3AABL1MAPK1MTORJAK3
SCHEMBL16776015 0.80 MAPK1 (0.42) WNT3AABL1MAPK1
SCHEMBL16776284 0.79 ABL1 (0.36) DYRK1AWNT3AABL1MAPK1JAK3
SCHEMBL17618708 0.78 USP30 (0.34) WNT3A
SCHEMBL16776228 0.78 NOTUM (0.38) WNT3AMAPK1
SCHEMBL16776425 0.76 BRD4 (0.35) DYRK1AWNT3AABL1GSK3BRPS6KA2
SCHEMBL16775884 0.74 MTOR (0.37) ABL1MTORGSK3AGSK3B
SCHEMBL16776032 0.74 KCNH2 (0.41) ABL1GSK3BRPS6KA2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885PIM1 2799/4885DYRK2 2804/4885

“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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