SCHEMBL17778671

SCHEMBL17778671

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccc(-c4cnn(C)c4)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.43
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ BTK Q06187 4/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ MKNK1 Q9BUB5 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ MET P08581 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL17778914 0.90 DYRK1A (0.43) IRAK4CLK2CLK3DYRK1A
SCHEMBL17618695 0.89 BTK (0.39) BTKJAK2JAK1TYK2CLK2
SCHEMBL19689861 0.89 CCNE1 (0.36) EGFRBTKIRAK4JAK2JAK1
SCHEMBL17778384 0.89 L3MBTL1 (0.35) IRAK4
SCHEMBL16754615 0.89 L3MBTL1 (0.35) IRAK4
SCHEMBL19706754 0.87 DYRK1A (0.39) EGFRPIK3CAMTORIRAK4TTK
SCHEMBL17778667 0.87 DYRK1A (0.39) EGFRPIK3CAMTORIRAK4TTK
SCHEMBL19706757 0.86 IRAK4 (0.34) IRAK4
SCHEMBL17768050 0.86 IRAK4 (0.34) IRAK4
SCHEMBL19706758 0.86 GSK3B (0.35) EGFRIRAK4DYRK1A

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 4 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 EGFR 3012/4885CCNK 1038/4885CDK12 1487/4885

“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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