SCHEMBL19689809

SCHEMBL19689809

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(C4CCOC(C)(C)C4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.39
▸ TLR9 Q9NR96 3/20 0.38
▸ TLR8 Q9NR97 3/20 0.38
▸ TLR7 Q9NYK1 3/20 0.38
▸ MTOR P42345 1/20 0.35
▸ BTK Q06187 2/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL17778911 0.90 ABL1 (0.36) MAPK1TLR9TLR8TLR7MTOR
SCHEMBL19689785 0.90 ABL1 (0.36) MAPK1TLR9TLR8TLR7MTOR
SCHEMBL17768115 0.84 ABL1 (0.35) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL16754282 0.84 KARS1 (0.40) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL17778323 0.84 KARS1 (0.40) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL17768178 0.82 ABL1 (0.37) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL17768095 0.82 ABL1 (0.37) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL17767957 0.82 ABL1 (0.37) MAPK1MTORWNT3AABL1GSK3B
SCHEMBL19706795 0.82 PSEN1 (0.41) MAPK1MTORIRAK4
SCHEMBL17778882 0.82 DYRK1A (0.39) MAPK1WNT3AABL1GSK3BDYRK1A

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 3 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

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 MAPK1 1307/4885TLR9 4107/4885TLR8 2844/4885

“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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