SCHEMBL19736182

SCHEMBL19736182

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(C(=O)N[C@H](C)C(F)(F)F)ccc4N4CCC3C4)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.38
▸ GSK3B P49841 11/20 0.38
▸ WNT1 P04628 5/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ CNR2 P34972 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ RORC P51449 2/20 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
SCHEMBL17770057 1.00 DYRK1A (0.38) DYRK1AGSK3BWNT1ABL1CNR2
SCHEMBL17770061 1.00 DYRK1A (0.38) DYRK1AGSK3BWNT1ABL1CNR2
SCHEMBL20720935 0.96 GSK3B (0.37) DYRK1AGSK3BWNT1ABL1PIK3CD
SCHEMBL17778546 0.96 GSK3B (0.37) DYRK1AGSK3BWNT1ABL1PIK3CD
SCHEMBL17770272 0.92 MAP3K5 (0.32) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17770048 0.92 MAP3K5 (0.32) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17770052 0.92 MAP3K5 (0.32) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17770276 0.92 MAP3K5 (0.32) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19714017 0.89 RPS6KA3 (0.37) —
SCHEMBL19714324 0.89 RPS6KA3 (0.37) —

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2959/4885GSK3B 2340/4885WNT1 3504/4885

“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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