SCHEMBL20733208

SCHEMBL20733208

CCN1CCCNc2nc(C(=O)N[C@H](C)C(F)(F)F)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.35
▸ DYRK1A Q13627 4/20 0.35
▸ DHODH Q02127 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ RPS6KA3 P51812 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ PTGES O14684 1/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ SLC10A1 Q14973 2/20 0.31
▸ AXL P30530 1/20 0.30

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
SCHEMBL20733294 0.81 RPS6KA3 (0.35) GSK3BDYRK1ARPS6KA3JAK2AXL
SCHEMBL20733256 0.74 FGFR4 (0.41) —
SCHEMBL20720993 0.72 JAK2 (0.35) GSK3BDYRK1AMAPK1RORCPTGES
SCHEMBL17778615 0.72 JAK2 (0.35) GSK3BDYRK1AMAPK1RORCPTGES
SCHEMBL16775802 0.64 SMN1; SMN2 (0.36) RPS6KA3RPS6KA2
SCHEMBL20733111 0.63 MAPK14 (0.36) MAPK1
SCHEMBL19736443 0.63 GSK3B (0.39) GSK3BDYRK1ARPS6KA3
SCHEMBL20733150 0.63 PTGER4 (0.39) RPS6KA3RPS6KA2
SCHEMBL31274588 0.62 HDAC4 (0.41) GSK3BDYRK1AMAPK1
SCHEMBL31275597 0.62 HDAC4 (0.41) GSK3BDYRK1AMAPK1

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885DYRK1A 2959/4885DHODH 891/4885

“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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