SCHEMBL3953836

SCHEMBL3953836

COc1ccc2c(C(=O)C(C)C)n[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.49
CDK2 P24941 1/20 0.49
PRKAG1 P54619 4/20 0.48
PRKAA1 Q13131 4/20 0.48
PRKAB1 Q9Y478 4/20 0.48
PRKAB2 O43741 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
DYRK1A Q13627 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL17321404 0.89 PRKAG1 (0.58) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL18554248 0.84 BCHE (0.56) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL176882 0.84 PRKAG1 (0.66) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL13069602 0.82 JAK2 (0.51) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL16516393 0.82 KDM4E (0.63) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL12583303 0.80 YTHDC1 (0.60) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL4012655 0.80 PRKAG1 (0.48) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL6920155 0.80 PRKAB2 (0.39) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL3953831 0.79 PRKAG1 (0.47) FLT3CDK2PRKAG1PRKAA1PRKAB1
SCHEMBL10073863 0.78 CYP1A2 (0.50) FLT3CDK2PRKAG1PRKAA1PRKAB1

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
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7563816-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-07-21 US disclosed
US-7563816-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-07-21 US disclosed
US-7563816-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-07-21 US disclosed
EP-1771170-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-07-08 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-02-07 US disclosed
US-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-02-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
EP-1771170-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-04-11 EP disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed
WO-2006020003-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-02-23 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 (3 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-20070010491-A1 Ophthalmic compositions for treating ocular hypertension REN, KCNH2, KCNH3 FLT3 4764/4885CDK2 3519/4885PRKAG1 2052/4885
US-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 FLT3 4646/4885CDK2 3854/4885PRKAG1 1360/4885
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 FLT3 4484/4885CDK2 3908/4885PRKAG1 966/4885

“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.