Sugi Predict

Sugi Predict / Compounds / SCHEMBL16754644

SCHEMBL16754644

SCHEMBL16754644

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.42
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ LPL P06858 6/20 0.34
▸ LIPG Q9Y5X9 6/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ DGAT1 O75907 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 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
SCHEMBL30905953 0.86 ALPL (0.43) AAK1GSK3AGSK3BALPLLPL
SCHEMBL3451096 0.86 ALPL (0.43) AAK1GSK3AGSK3BALPLLPL
SCHEMBL16175065 0.83 AAK1 (0.42) AAK1GSK3AGSK3BALPLESR2
SCHEMBL17155516 0.82 AAK1 (0.42) AAK1GSK3AGSK3BALPLESR2
SCHEMBL6934738 0.79 AAK1 (0.50) AAK1GSK3AGSK3BALPLLPL
SCHEMBL30864874 0.79 AAK1 (0.45) AAK1GSK3AGSK3BALPLLPL
SCHEMBL27314904 0.79 AAK1 (0.45) AAK1GSK3AGSK3BALPLLPL
SCHEMBL462679 0.79 AAK1 (0.47) AAK1GSK3AGSK3BALPLLPL
SCHEMBL17381643 0.79 CHRNB2 (0.36) AAK1GSK3AGSK3BALPLLPL
SCHEMBL613434 0.78 AAK1 (0.46) AAK1GSK3AGSK3BALPLLPL

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-11427578-B1 Substituted pyrrolopyridine-derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-08-30 — — US disclosed
EP-3655406-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-05-27 — — EP disclosed
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
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-24 — — WO 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
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
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 (5 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 AAK1 2735/4885GSK3A 2377/4885GSK3B 1728/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AAK1 2765/4885GSK3A 3031/4885GSK3B 2322/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AAK1 2735/4885GSK3A 2377/4885GSK3B 1728/4885
US-11427578-B1 Substituted pyrrolopyridine-derivatives MAP3K4, MAP4K4, MAP4K3 AAK1 157/4885GSK3A 550/4885GSK3B 499/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 AAK1 2735/4885GSK3A 2377/4885GSK3B 1728/4885

“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.