SCHEMBL3582226

SCHEMBL3582226

NC(=O)c1ccc(C(=O)c2ccc3c(c2)C(=CNc2cccc(O)c2)C(=O)N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.47
RAF1 P04049 2/20 0.46
TLK2 Q86UE8 4/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
AKT2 P31751 2/20 0.43
NTRK1 P04629 1/20 0.41
JAK3 P52333 4/20 0.41
PLK4 O00444 1/20 0.39
PLK1 P53350 1/20 0.39
GSK3B P49841 3/20 0.39
ULK1 O75385 1/20 0.39
KIF15 Q9NS87 1/20 0.39

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
SCHEMBL3584594 0.95 PDPK1 (0.48) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3578296 0.93 ALDH1A1 (0.46) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3582233 0.92 RAF1 (0.46) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3584603 0.89 MAP3K7 (0.46) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3575692 0.88 MAP3K7 (0.47) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL4759184 0.87 AKT2 (0.43) PDPK1ALDH1A1CYP1A2CYP3A4MAP3K7
SCHEMBL3578300 0.85 ALDH1A1 (0.45) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3581636 0.84 PDPK1 (0.43) PDPK1RAF1TLK2AKT2NTRK1
SCHEMBL3575699 0.82 MAP3K7 (0.46) PDPK1RAF1TLK2ALDH1A1CYP1A2
SCHEMBL3572328 0.82 PDPK1 (0.46) PDPK1RAF1TLK2AKT2NTRK1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-20190008178-A1 Process Recipe Cheese Product With Improved Melt And Firmness And Method For Manufacture KRAFT FOODS GROUP BRANDS LLC 2019-01-10 US disclosed
EP-2117334-B1 FOOD COMPOSITIONS INCORPORATING ADDITIONAL LONG CHAIN FATTY ACIDS MONSANTO TECHNOLOGY LLC (US) 2018-11-14 EP disclosed
US-9376580-B2 Use of oils with high concentrations of polyunsaturated fatty acids in plastics and surface coatings MONSANTO TECHNOLOGY LLC (US) 2016-06-28 US disclosed
US-20150275047-A1 HIGH PUFA OILS FOR INDUSTRIAL APPLICATIONS MONSANTO TECHNOLOGY LLC (US) 2015-10-01 US disclosed
EP-2912130-A2 HIGH PUFA OILS FOR INDUSTRIAL APPLICATIONS Monsanto Technology LLC (US) 2015-09-02 EP disclosed
US-8846781-B2 Use of oils with high concentrations of polyunsaturated fatty acids in plastics and surface coatings MONSANTO TECHNOLOGY LLC (US) 2014-09-30 US disclosed
WO-2014066127-A2 HIGH PUFA OILS FOR INDUSTRIAL APPLICATIONS MONSANTO TECHNOLOGY LLC (US) 2014-05-01 WO disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
EP-2197962-A1 USE OF OILS WITH HIGH CONCENTRATIONS OF POLYUNSATURATED FATTY ACIDS IN PLASTICS AND SURFACE COATINGS Monsanto Technology, LLC (US) 2010-06-23 EP disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
WO-2009042770-A1 USE OF OILS WITH HIGH CONCENTRATIONS OF POLYUNSATURATED FATTY ACIDS IN PLASTICS AND SURFACE COATINGS MONSANTO TECHNOLOGY LLC (US) 2009-04-02 WO disclosed
US-20090081465-A1 USE OF OILS WITH HIGH CONCENTRATIONS OF POLYUNSATURATED FATTY ACIDS IN PLASTICS AND SURFACE COATINGS MONSANTO TECHNOLOGY LLC (US) 2009-03-26 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDPK1 82/4885RAF1 172/4885TLK2 304/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PDPK1 86/4885RAF1 69/4885TLK2 363/4885

“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.