SCHEMBL19706688

SCHEMBL19706688

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(N4C[C@@H](C)O[C@@H](C)C4)ccn2)C2CCN3C2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.43
▸ DYRK1A Q13627 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ MTOR P42345 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL19689656 1.00 WNT3A (0.43) WNT3ADYRK1AKCNH2ABL1MAPK1
SCHEMBL17778888 0.91 PIM1 (0.38) WNT3AABL1MAPK1MTORPIM1
SCHEMBL19706795 0.90 PSEN1 (0.41) MAPK1MTORSYK
SCHEMBL19689792 0.90 PSEN1 (0.41) MAPK1MTORSYK
SCHEMBL17778323 0.87 KARS1 (0.40) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL16754282 0.87 KARS1 (0.40) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL19689817 0.86 WNT3A (0.36) WNT3AABL1MAPK1MTORPIM1
SCHEMBL17768176 0.86 IDH1 (0.34) WNT3AKCNH2ABL1MAPK1MTOR
SCHEMBL17768178 0.86 ABL1 (0.37) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL17768095 0.86 ABL1 (0.37) WNT3AABL1MAPK1GSK3BMTOR

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 WNT3A 4482/4885DYRK1A 3048/4885KCNH2 4064/4885

“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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