SCHEMBL19689861

SCHEMBL19689861

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccc(-c4cn(C)nc4C)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ EGFR P00533 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ IRAK4 Q9NWZ3 5/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ BTK Q06187 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL17778912 0.89 IRAK4 (0.35) EGFRIRAK4KCNH2FGFR1FGFR2
SCHEMBL19689781 0.89 IRAK4 (0.35) EGFRIRAK4KCNH2FGFR1FGFR2
SCHEMBL17778671 0.89 EGFR (0.43) EGFRJAK2JAK1IRAK4BTK
SCHEMBL16754615 0.86 L3MBTL1 (0.35) IRAK4
SCHEMBL17778384 0.86 L3MBTL1 (0.35) IRAK4
SCHEMBL19706746 0.86 RAF1 (0.35) EGFRIRAK4KCNH2RAF1AURKA
SCHEMBL19689724 0.86 RAF1 (0.35) EGFRIRAK4KCNH2RAF1AURKA
SCHEMBL16754395 0.85 IRAK4 (0.34) IRAK4
SCHEMBL17768050 0.84 IRAK4 (0.34) IRAK4
SCHEMBL19706757 0.84 IRAK4 (0.34) IRAK4

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 3 patents. 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
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
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 CCNE1 1916/4885CDK2 682/4885EGFR 3012/4885

“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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