SCHEMBL16754649

SCHEMBL16754649

O=C(Nc1ccncn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.38
▸ IDH2 P48735 1/20 0.36
▸ RPS6KB1 P23443 4/20 0.35
▸ AKT1 P31749 4/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ AR P10275 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PIK3R1 P27986 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
SCHEMBL17778304 1.00 NR3C2 (0.38) NR3C2IDH2RPS6KB1AKT1MAP4K4
SCHEMBL16754346 0.90 IDH2 (0.40) NR3C2IDH2RPS6KB1AKT1PIK3CA
SCHEMBL17778564 0.90 IDH2 (0.40) NR3C2IDH2RPS6KB1AKT1PIK3CA
SCHEMBL16754405 0.89 NR3C2 (0.38) NR3C2IDH2PIK3CACYP2C19GRM2
SCHEMBL17618363 0.88 MPL (0.42) IDH2RPS6KB1
SCHEMBL17778302 0.88 ROCK2 (0.37) NR3C2IDH2RPS6KB1AKT1MAP4K4
SCHEMBL16754669 0.88 ROCK2 (0.37) NR3C2IDH2RPS6KB1AKT1MAP4K4
SCHEMBL16754401 0.88 GRM5 (0.37) PIM2PIM3FAAH
SCHEMBL17778228 0.88 GRM5 (0.37) PIM2PIM3FAAH
SCHEMBL20733227 0.87 IDH2 (0.40) NR3C2IDH2RPS6KB1AKT1MAP4K4

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 16 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US 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 NR3C2 4745/4885IDH2 34/4885RPS6KB1 1511/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NR3C2 4745/4885IDH2 34/4885RPS6KB1 1511/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NR3C2 4528/4885IDH2 34/4885RPS6KB1 973/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NR3C2 4745/4885IDH2 34/4885RPS6KB1 1511/4885

“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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