SCHEMBL3584594

SCHEMBL3584594

NC(=O)c1cccc(C(=O)c2ccc3c(c2)C(=CNc2cccc(O)c2)C(=O)N3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.48
MAP3K7 O43318 1/20 0.46
TAB1 Q15750 1/20 0.46
RAF1 P04049 1/20 0.45
TLK2 Q86UE8 3/20 0.44
AKT2 P31751 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
JAK3 P52333 3/20 0.41
GSK3B P49841 3/20 0.40
NTRK1 P04629 1/20 0.40
PARP1 P09874 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CCNB1 P14635 1/20 0.39
CCR6 P51684 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PLK4 O00444 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
SCHEMBL3582226 0.95 PDPK1 (0.47) PDPK1MAP3K7TAB1RAF1TLK2
SCHEMBL3575692 0.93 MAP3K7 (0.47) PDPK1MAP3K7TAB1RAF1TLK2
SCHEMBL3584603 0.90 MAP3K7 (0.46) PDPK1MAP3K7TAB1RAF1TLK2
SCHEMBL3582233 0.89 RAF1 (0.46) PDPK1MAP3K7TAB1RAF1TLK2
SCHEMBL3578296 0.88 ALDH1A1 (0.46) PDPK1MAP3K7TAB1RAF1TLK2
SCHEMBL4757664 0.87 PDPK1 (0.46) PDPK1RAF1TLK2AKT2JAK3
SCHEMBL3572328 0.87 PDPK1 (0.46) PDPK1RAF1TLK2AKT2JAK3
SCHEMBL3582425 0.85 AKT2 (0.44) PDPK1MAP3K7TAB1AKT2ALDH1A1
SCHEMBL4759184 0.84 AKT2 (0.43) PDPK1MAP3K7TAB1AKT2ALDH1A1
SCHEMBL3581378 0.84 CDYL2 (0.44) PDPK1RAF1TLK2AKT2JAK3

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 10 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-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
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
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 82/4885MAP3K7 10/4885TAB1 114/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PDPK1 86/4885MAP3K7 15/4885TAB1 453/4885

“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.