SCHEMBL3587084

SCHEMBL3587084

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.58
TLK2 Q86UE8 7/20 0.53
RAF1 P04049 3/20 0.51
JAK3 P52333 7/20 0.47
NTRK1 P04629 1/20 0.47
AKT2 P31751 1/20 0.47
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CCNB1 P14635 1/20 0.43
CCR6 P51684 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
ULK1 O75385 1/20 0.42
KIF15 Q9NS87 1/20 0.42

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
SCHEMBL3580637 0.91 PDPK1 (0.47) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL3571572 0.91 PDPK1 (0.55) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL3587087 0.87 TLK2 (0.53) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL3571577 0.83 TLK2 (0.53) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL3580971 0.81 PIM1 (0.46) PDPK1TLK2RAF1NTRK1CCNB2
SCHEMBL3584594 0.80 PDPK1 (0.48) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL4756765 0.80 TLK2 (0.51) PDPK1TLK2RAF1JAK3NTRK1
SCHEMBL3578101 0.80 JAK3 (0.55) PDPK1TLK2RAF1JAK3AKT2
SCHEMBL3578104 0.80 JAK3 (0.55) PDPK1TLK2RAF1JAK3AKT2
SCHEMBL3580640 0.80 PIM1 (0.51) PDPK1TLK2RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 82/4885TLK2 304/4885RAF1 172/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PDPK1 86/4885TLK2 363/4885RAF1 69/4885

“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.