Sugi Predict

Sugi Predict / Compounds / SCHEMBL4124783

SCHEMBL4124783

SCHEMBL4124783

CC(C)(C)OC(=O)NCCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.48
▸ CA1 P00915 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA9 Q16790 5/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ AAK1 Q2M2I8 2/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ EGFR P00533 2/20 0.43
▸ ITK Q08881 2/20 0.43
▸ CYP1A1 P04798 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP3A43 Q9HB55 1/20 0.41
▸ SUCNR1 Q9BXA5 1/20 0.41

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
SCHEMBL16014145 0.97 PDK2 (0.49) CA12CA1CA2CA9PRMT5
SCHEMBL15036808 0.89 CA12 (0.49) CA12CA1CA2CA9PRMT5
SCHEMBL16493221 0.87 AAK1 (0.60) CA12CA1CA2CA9PRMT5
SCHEMBL16612477 0.85 L3MBTL1 (0.46) —
SCHEMBL16169733 0.85 CA12 (0.48) CA12CA1CA2CA9PRMT5
SCHEMBL1802895 0.84 LIPG (0.55) PRMT5WDR77AAK1
SCHEMBL2151494 0.84 AAK1 (0.59) CA12CA1CA2CA9PRMT5
SCHEMBL15919266 0.83 AAK1 (0.61) CA12CA1CA2CA9PRMT5
SCHEMBL16014297 0.83 PRMT5 (0.48) CA1CA2PRMT5WDR77AAK1
SCHEMBL21049915 0.83 SCD (0.42) CA12CA1CA2CA9PRMT5

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 27 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
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-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2017-08-31 — — US disclosed
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2017-08-31 — — 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-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
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 — — US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 — — US disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 — — WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 — — 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 (7 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 CA12 1178/4885CA1 143/4885CA2 16/4885
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 CA12 4473/4885CA1 4170/4885CA2 958/4885
US-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 CA12 3640/4885CA1 2875/4885CA2 1453/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 CA12 1178/4885CA1 143/4885CA2 16/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 CA12 1178/4885CA1 143/4885CA2 16/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 CA12 1178/4885CA1 143/4885CA2 16/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 CA12 4730/4885CA1 3741/4885CA2 2691/4885

“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.