Sugi Predict

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SCHEMBL16014145

SCHEMBL16014145

CC(C)(C)OC(=O)NCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ CA12 O43570 5/20 0.47
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 5/20 0.47
▸ AAK1 Q2M2I8 2/20 0.47
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL4124783 0.97 CA12 (0.48) PDK2PRMT5WDR77CA12CA1
SCHEMBL15919266 0.86 AAK1 (0.61) PDK2PRMT5WDR77CA12CA1
SCHEMBL15036808 0.85 CA12 (0.49) PDK2PRMT5WDR77CA12CA1
SCHEMBL23484589 0.85 MTNR1A (0.59) PDK2MTNR1AMTNR1B
SCHEMBL16612124 0.85 MTNR1A (0.46) MTNR1AMTNR1BHIF1A
SCHEMBL26000464 0.83 AAK1 (0.53) PDK2PRMT5WDR77CA12CA1
SCHEMBL16493221 0.83 AAK1 (0.60) PDK2PRMT5WDR77CA12CA1
SCHEMBL2144320 0.82 LIPG (0.51) PRMT5WDR77CA1CA2CA9
SCHEMBL16612477 0.82 L3MBTL1 (0.46) MTNR1AMTNR1BHIF1A
SCHEMBL24449927 0.82 PRMT5 (0.44) PDK2PRMT5WDR77CA12CA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325908-B2 CaMKII inhibitors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-10 — — US disclosed
EP-3189052-B1 CAMKII INHIBITORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-11-03 — — EP disclosed
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. 2020-12-10 — — US disclosed
US-10759792-B2 CaMKII inhibitors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-09-01 — — US disclosed
EP-2964225-B1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS INC (US) 2018-08-08 — — EP disclosed
EP-2964225-B1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS INC (US) 2018-08-08 — — EP disclosed
US-9951061-B2 CaMKII inhibitors and uses thereof ALLOSTEROS THERAPEUTICS, INC. (US) 2018-04-24 — — US disclosed
US-9951061-B2 CaMKII inhibitors and uses thereof ALLOSTEROS THERAPEUTICS, INC. (US) 2018-04-24 — — US disclosed
US-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 — — US disclosed
US-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 — — US disclosed
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 — — US disclosed
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 — — US disclosed
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 — — US disclosed
EP-2964225-A1 CaMKII INHIBITORS AND USES THEREOF Allosteros Therapeutics Inc. (US) 2016-01-13 — — EP disclosed
US-9187489-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 — — US disclosed
US-9187489-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 — — US disclosed
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
WO-2014138212-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2014-09-12 — — WO disclosed
WO-2014138212-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2014-09-12 — — WO 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-11325908-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 PDK2 1262/4885PRMT5 2507/4885WDR77 2858/4885
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 PDK2 322/4885PRMT5 1315/4885WDR77 3251/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 PDK2 1262/4885PRMT5 2507/4885WDR77 2858/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 PDK2 1262/4885PRMT5 2507/4885WDR77 2858/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 PDK2 1262/4885PRMT5 2507/4885WDR77 2858/4885

“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.