SCHEMBL17778897

SCHEMBL17778897

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cn[nH]c4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ GSK3B P49841 5/20 0.38
▸ WNT1 P04628 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ PRKD1 Q15139 3/20 0.37
▸ PRKD2 Q9BZL6 3/20 0.37
▸ MAPK1 P28482 5/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 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
SCHEMBL17778307 0.89 JAK3 (0.36) WNT3AABL1GSK3BJAK3MAPK1
SCHEMBL16754558 0.89 JAK3 (0.36) WNT3AABL1GSK3BJAK3MAPK1
SCHEMBL16754282 0.88 KARS1 (0.40) WNT3AABL1GSK3BMAPK1
SCHEMBL17778323 0.88 KARS1 (0.40) WNT3AABL1GSK3BMAPK1
SCHEMBL19706797 0.88 JAK3 (0.37) ABL1GSK3BJAK3MAPK1PIK3C3
SCHEMBL19689803 0.88 JAK3 (0.37) ABL1GSK3BJAK3MAPK1PIK3C3
SCHEMBL17778914 0.87 DYRK1A (0.43) ABL1GSK3BWNT1DYRK1A
SCHEMBL19699705 0.87 GSK3B (0.52) WNT3AABL1GSK3BDYRK1AJAK3
SCHEMBL17778385 0.87 WNT3A (0.40) WNT3AABL1PRKD1PRKD2
SCHEMBL16238798 0.87 WNT3A (0.40) WNT3AABL1PRKD1PRKD2

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 WNT3A 4482/4885ABL1 3898/4885GSK3B 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