SCHEMBL17778712

SCHEMBL17778712

O=C(Nc1nccc(-c2ccccc2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 10/20 0.41
▸ MAPK12 P53778 10/20 0.41
▸ MAPK11 Q15759 10/20 0.41
▸ MAPK14 Q16539 10/20 0.41
▸ KMO O15229 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ MAPK9 P45984 5/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ RAF1 P04049 3/20 0.38
▸ BRAF P15056 1/20 0.38
▸ SLC5A1 P13866 1/20 0.37
▸ DGAT1 O75907 1/20 0.36

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
SCHEMBL19689741 0.86 PHGDH (0.40) MAPK14SLC5A1
SCHEMBL17778330 0.86 PHGDH (0.40) MAPK14SLC5A1
SCHEMBL19706590 0.85 KDM4E (0.37) MAPK14CA2CA9RPS6KA3SLC5A1
SCHEMBL19689827 0.84 RAF1 (0.35) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL19689839 0.84 RAF1 (0.35) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL17778231 0.84 RAF1 (0.35) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL17778491 0.84 RAF1 (0.35) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL19689840 0.84 RAF1 (0.35) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL17768188 0.83 ALDH1A1 (0.39) —
SCHEMBL17778549 0.82 KDM4E (0.41) MAPK14SLC5A1

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 4 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 MAPK13 1901/4885MAPK12 1769/4885MAPK11 1544/4885

“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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