SCHEMBL16754546

SCHEMBL16754546

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)c(C)s2)[C@H]2CCCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.38
▸ PIK3CA P42336 12/20 0.38
▸ PIK3CB P42338 11/20 0.38
▸ PIK3CG P48736 10/20 0.38
▸ GAK O14976 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL17618696 0.95 PIK3CA (0.37) PIK3CDPIK3CAPIK3CBPIK3CGGAK
SCHEMBL17618711 0.89 SMN1; SMN2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL17618683 0.86 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL17618712 0.85 HCRTR1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL19365381 0.85 SMN1; SMN2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL17618612 0.85 SMN1; SMN2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL17618536 0.85 SMN1; SMN2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL17618366 0.84 IDH2 (0.38) KDM4EHSD17B10SMN1; SMN2USP2
SCHEMBL17618627 0.84 CRHR1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL17618687 0.84 ACKR3 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2

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 18 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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20150355090-A1 METHODS AND APPARATUS FOR DETECTING METALS IN LIQUIDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-10 — — 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-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 PIK3CD 3327/4885PIK3CA 3691/4885PIK3CB 2198/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CD 3327/4885PIK3CA 3691/4885PIK3CB 2198/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CD 3759/4885PIK3CA 4009/4885PIK3CB 3016/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CD 3327/4885PIK3CA 3691/4885PIK3CB 2198/4885

“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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