SCHEMBL17778675

SCHEMBL17778675

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)cnn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.36
▸ WNT1 P04628 13/20 0.36
▸ GSK3B P49841 12/20 0.36
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL17618869 0.93 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17767959 0.93 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19689662 0.89 GSK3B (0.39) DYRK1AWNT1GSK3BWNT3AABL1
SCHEMBL17618870 0.89 DYRK1A (0.35) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17618694 0.87 BRAF (0.41) DYRK1AWNT1GSK3BWNT3A
SCHEMBL19689693 0.87 DYRK1A (0.34) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17768118 0.86 WNT3A (0.36) WNT3AABL1MAPK1
SCHEMBL16754414 0.84 FAAH (0.43) WNT3AABL1
SCHEMBL17778385 0.83 WNT3A (0.40) WNT3AABL1
SCHEMBL16238798 0.83 WNT3A (0.40) WNT3AABL1

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 3048/4885WNT1 3338/4885GSK3B 2322/4885

“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.

Send feedback