SCHEMBL17768085

SCHEMBL17768085

CC1(C)OC[C@@H](COc2cncc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)c(Cl)cc4N4CC[C@H]3C4)n2)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KCNJ5 P48544 1/20 0.32
▸ KCNJ3 P48549 1/20 0.32
▸ RPS6KB1 P23443 5/20 0.32
▸ RPS6KA5 O75582 1/20 0.32
▸ RPS6KA4 O75676 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ RPS6KA1 Q15418 1/20 0.32
▸ RPS6KB2 Q9UBS0 1/20 0.32
▸ RPS6KA6 Q9UK32 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NPY2R P49146 1/20 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
SCHEMBL17778317 1.00 KCNK3 (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL19689788 1.00 KCNK3 (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17768086 1.00 KCNK3 (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17778563 0.96 KCNJ5 (0.32) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17778626 0.96 KCNJ5 (0.32) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17769600 0.96 KCNJ5 (0.32) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17769597 0.96 KCNJ5 (0.32) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL19706579 0.93 KIF18A (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17768245 0.93 KIF18A (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD
SCHEMBL17778686 0.93 KIF18A (0.33) KCNK3ALDH1A1KDM4ECYP2C9HPGD

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 5 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
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP 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 KCNK3 2564/4885ALDH1A1 993/4885KDM4E 1355/4885

“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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