SCHEMBL19689785

SCHEMBL19689785

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(C4CC4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ WNT3A P56704 3/20 0.34
▸ MTOR P42345 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ SYK P43405 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
SCHEMBL17778911 1.00 ABL1 (0.36) ABL1MAP3K12MAPK1GSK3BTLR8
SCHEMBL17778323 0.91 KARS1 (0.40) ABL1MAP3K12MAPK1GSK3BWNT3A
SCHEMBL16754282 0.91 KARS1 (0.40) ABL1MAP3K12MAPK1GSK3BWNT3A
SCHEMBL19689809 0.90 MAPK1 (0.39) ABL1MAPK1GSK3BTLR8TLR7
SCHEMBL17768178 0.89 ABL1 (0.37) ABL1MAPK1GSK3BWNT3AMTOR
SCHEMBL17767957 0.89 ABL1 (0.37) ABL1MAPK1GSK3BWNT3AMTOR
SCHEMBL17768095 0.89 ABL1 (0.37) ABL1MAPK1GSK3BWNT3AMTOR
SCHEMBL17618509 0.88 WNT3A (0.41) ABL1GSK3BWNT3A
SCHEMBL17778803 0.88 DYRK1A (0.42) ABL1MAPK1GSK3BWNT3AMTOR
SCHEMBL17778888 0.88 PIM1 (0.38) ABL1MAP3K12MAPK1BTKWNT3A

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 ABL1 3898/4885MAP3K12 1635/4885MAPK1 1307/4885

“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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