SCHEMBL16014297

SCHEMBL16014297

CC(C)(C)OC(=O)NCCCNc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
AAK1 Q2M2I8 2/20 0.43
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
BRD4 O60885 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL16014137 0.94 PRMT5 (0.49) PRMT5WDR77CA1CA2AAK1
SCHEMBL3321460 0.90 PRMT5 (0.46) PRMT5WDR77CA1CA2AAK1
SCHEMBL3319977 0.85 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL1802895 0.84 LIPG (0.55) PRMT5WDR77AAK1LPLLIPG
SCHEMBL20462059 0.83 PRMT5 (0.41) PRMT5WDR77CA1CA2AAK1
SCHEMBL4124783 0.83 CA12 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL29895473 0.82 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL1300326 0.82 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL27118089 0.82 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL2144320 0.81 LIPG (0.51) PRMT5WDR77CA1CA2AAK1

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 15 patents. 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-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-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
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 PRMT5 2507/4885WDR77 2858/4885CA1 143/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 PRMT5 2507/4885WDR77 2858/4885CA1 143/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 PRMT5 2507/4885WDR77 2858/4885CA1 143/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 PRMT5 2507/4885WDR77 2858/4885CA1 143/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 PRMT5 2507/4885WDR77 2858/4885CA1 143/4885

“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.