SCHEMBL16754669

SCHEMBL16754669

O=C(Nc1cncnc1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.37
▸ ROCK1 Q13464 8/20 0.37
▸ CDC42BPB Q9Y5S2 8/20 0.37
▸ CDC42BPA Q5VT25 5/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ GRM2 Q14416 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34

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
SCHEMBL17778302 1.00 ROCK2 (0.37) ROCK2ROCK1CDC42BPBCDC42BPAIDH2
SCHEMBL16776481 0.92 HTR2C (0.41) IDH2CYP2C19ABL1PIM2PIM3
SCHEMBL16754510 0.92 PKM (0.36) ROCK2ROCK1CDC42BPBIDH2CYP2C19
SCHEMBL17778304 0.88 NR3C2 (0.38) IDH2CYP2C19PIK3CANR3C2RPS6KB1
SCHEMBL16754649 0.88 NR3C2 (0.38) IDH2CYP2C19PIK3CANR3C2RPS6KB1
SCHEMBL16754405 0.88 NR3C2 (0.38) ROCK2ROCK1CDC42BPBCDC42BPAIDH2
SCHEMBL16754368 0.88 GRM5 (0.39) ROCK2ROCK1CDC42BPBCDC42BPAIRAK4
SCHEMBL17777142 0.88 GRM5 (0.39) ROCK2ROCK1CDC42BPBCDC42BPAIRAK4
SCHEMBL20733227 0.88 IDH2 (0.40) IDH2CYP2C19PIK3CANR3C2RPS6KB1
SCHEMBL17618371 0.86 IDH2 (0.42) IDH2CYP2C19RPS6KB1AKT1

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 17 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
US-8957236-B2 Compound and organic device employing same KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2015-02-17 — — 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 ROCK2 3343/4885ROCK1 2949/4885CDC42BPB 3243/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ROCK2 3343/4885ROCK1 2949/4885CDC42BPB 3243/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ROCK2 4072/4885ROCK1 3439/4885CDC42BPB 3938/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ROCK2 3343/4885ROCK1 2949/4885CDC42BPB 3243/4885

“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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