SCHEMBL19689684

SCHEMBL19689684

Cc1cc(-c2cc(C)c3c(n2)N(C(=O)Nc2cc(-c4cn(C)nc4C)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.36
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KCNH2 Q12809 4/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL19689781 0.89 IRAK4 (0.35) IRAK4KDM5AKCNH2EGFRPIK3C3
SCHEMBL17778912 0.89 IRAK4 (0.35) IRAK4KDM5AKCNH2EGFRPIK3C3
SCHEMBL19689790 0.88 DYRK1A (0.42) IRAK4ABL1DYRK1A
SCHEMBL19689679 0.86 ABL1 (0.36) IRAK4USP30ABL1MAPK1
SCHEMBL19689690 0.80 GRM5 (0.41) ABL1
SCHEMBL17778649 0.80 GRM5 (0.41) ABL1
SCHEMBL17778665 0.79 PIK3C3 (0.41) IRAK4KCNH2PIK3C3MAPK1
SCHEMBL17778744 0.79 RAF1 (0.39) IRAK4KCNH2RAF1PIK3C3
SCHEMBL19689744 0.79 PIK3C3 (0.41) IRAK4KCNH2PIK3C3MAPK1
SCHEMBL19706746 0.79 RAF1 (0.35) IRAK4AURKAAURKBKCNH2RAF1

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 IRAK4 2889/4885AURKA 2278/4885AURKB 1017/4885

“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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