SCHEMBL16754361

SCHEMBL16754361

O=C(Nc1cncc(OCC(O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.36
▸ KDM1A O60341 3/20 0.34
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ RPS6KB1 P23443 6/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL16754360 1.00 RAF1 (0.36) RAF1KDM1AMAOAMAOBRPS6KB1
SCHEMBL16754334 1.00 RAF1 (0.36) RAF1KDM1AMAOAMAOBRPS6KB1
SCHEMBL17624524 0.93 KIF18A (0.36) RAF1KDM1AMAOAMAOBRPS6KB1
SCHEMBL17624555 0.91 KDM1A (0.35) RAF1KDM1AMAOAMAOBRPS6KB1
SCHEMBL17778738 0.91 LIPG (0.36) RAF1KDM1AMAOAMAOBRPS6KB1
SCHEMBL17778497 0.91 RAF1 (0.36) RAF1RPS6KB1AKT1GRIN1GRIN2B
SCHEMBL20550593 0.91 RAF1 (0.36) RAF1RPS6KB1AKT1GRIN1GRIN2B
SCHEMBL20550380 0.91 RAF1 (0.36) RAF1RPS6KB1AKT1GRIN1GRIN2B
SCHEMBL19689650 0.90 GPR52 (0.35) KDM1AMAOAMAOBRPS6KB1CA2
SCHEMBL16238670 0.90 GRM5 (0.34) RAF1EGFRBTK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2875/4885KDM1A 859/4885MAOA 1519/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2078/4885KDM1A 903/4885MAOA 1153/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2875/4885KDM1A 859/4885MAOA 1519/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAF1 2875/4885KDM1A 859/4885MAOA 1519/4885

“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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