SCHEMBL19699705

SCHEMBL19699705

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnc(C)[nH]4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.52
▸ DYRK1A Q13627 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ MAPK1 P28482 6/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ MAPK14 Q16539 3/20 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
SCHEMBL17778749 0.89 GSK3B (0.38) GSK3BABL1MAPK1JAK3WNT3A
SCHEMBL17778323 0.88 KARS1 (0.40) GSK3BABL1MAPK1WNT3A
SCHEMBL16754282 0.88 KARS1 (0.40) GSK3BABL1MAPK1WNT3A
SCHEMBL17778897 0.87 WNT3A (0.42) GSK3BDYRK1AABL1MAPK1JAK3
SCHEMBL17778385 0.87 WNT3A (0.40) ABL1WNT3A
SCHEMBL16238798 0.87 WNT3A (0.40) ABL1WNT3A
SCHEMBL16754278 0.87 WNT3A (0.40) ABL1WNT3A
SCHEMBL17768095 0.87 ABL1 (0.37) GSK3BABL1MAPK1JAK3WNT3A
SCHEMBL17768178 0.87 ABL1 (0.37) GSK3BABL1MAPK1JAK3WNT3A
SCHEMBL17767957 0.87 ABL1 (0.37) GSK3BABL1MAPK1JAK3WNT3A

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 2 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

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 GSK3B 2322/4885DYRK1A 3048/4885ABL1 3898/4885

“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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