SCHEMBL19706797

SCHEMBL19706797

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4c[nH]nc4C)ccn2)C2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.37
▸ MAPK1 P28482 6/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ CDK1 P06493 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ CDK3 Q00526 3/20 0.34
▸ CDK5 Q00535 3/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ PIK3C3 Q8NEB9 4/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MTOR P42345 1/20 0.33

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
SCHEMBL19689803 1.00 JAK3 (0.37) JAK3MAPK1ABL1CDK1CDK2
SCHEMBL17778662 0.89 DYRK1A (0.35) JAK3ROCK1CDC42BPB
SCHEMBL17778897 0.88 WNT3A (0.42) JAK3MAPK1ABL1GSK3BPIK3C3
SCHEMBL17778307 0.87 JAK3 (0.36) JAK3MAPK1ABL1CDK1CDK2
SCHEMBL16754558 0.87 JAK3 (0.36) JAK3MAPK1ABL1CDK1CDK2
SCHEMBL16754282 0.87 KARS1 (0.40) MAPK1ABL1GSK3BMTOR
SCHEMBL17778323 0.87 KARS1 (0.40) MAPK1ABL1GSK3BMTOR
SCHEMBL17778912 0.86 IRAK4 (0.35) JAK3MAPK1ABL1PIK3C3
SCHEMBL19689781 0.86 IRAK4 (0.35) JAK3MAPK1ABL1PIK3C3
SCHEMBL17768178 0.86 ABL1 (0.37) JAK3MAPK1ABL1GSK3BMTOR

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 1 patent. 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

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 JAK3 3456/4885MAPK1 1307/4885ABL1 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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