SCHEMBL17778672

SCHEMBL17778672

CCn1cc(-c2ccnc(NC(=O)N3c4nc(-c5ccnc(C)c5)ccc4N4CC[C@H]3C4)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.40
▸ GSK3B P49841 4/20 0.40
▸ WNT1 P04628 2/20 0.40
▸ MAPK1 P28482 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ PIM1 P11309 4/20 0.35
▸ WNT3A P56704 3/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 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
SCHEMBL17778670 0.92 MAPK1 (0.40) DYRK1AGSK3BWNT1MAPK1ABL1
SCHEMBL17778914 0.91 DYRK1A (0.43) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL16754282 0.86 KARS1 (0.40) GSK3BMAPK1ABL1WNT3A
SCHEMBL17778323 0.86 KARS1 (0.40) GSK3BMAPK1ABL1WNT3A
SCHEMBL16754321 0.85 CLK2 (0.38) DYRK1AGSK3BWNT1CLK2LRRK2
SCHEMBL17778897 0.85 WNT3A (0.42) DYRK1AGSK3BWNT1MAPK1ABL1
SCHEMBL17768095 0.84 ABL1 (0.37) GSK3BMAPK1ABL1WNT3A
SCHEMBL17767957 0.84 ABL1 (0.37) GSK3BMAPK1ABL1WNT3A
SCHEMBL17768178 0.84 ABL1 (0.37) GSK3BMAPK1ABL1WNT3A
SCHEMBL16238798 0.84 WNT3A (0.40) ABL1WNT3A

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 DYRK1A 3048/4885GSK3B 2322/4885WNT1 3338/4885

“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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