SCHEMBL3581636

SCHEMBL3581636

Cc1ccc(NC=C2C(=O)Nc3ccc(C(=O)c4ccc(C(N)=O)cc4)cc32)cc1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
RAF1 P04049 2/20 0.42
TLK2 Q86UE8 5/20 0.41
JAK3 P52333 2/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
TGM2 P21980 1/20 0.38
AURKA O14965 1/20 0.38
GSK3B P49841 1/20 0.38
AKT2 P31751 3/20 0.38
NTRK1 P04629 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL4757664 0.94 PDPK1 (0.46) PDPK1RAF1TLK2JAK3CCNB2
SCHEMBL3572328 0.94 PDPK1 (0.46) PDPK1RAF1TLK2JAK3CCNB2
SCHEMBL3578279 0.93 TGM2 (0.37) PDPK1RAF1TLK2CCNB2CDK1
SCHEMBL3581640 0.92 RAF1 (0.42) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL3578699 0.89 JAK3 (0.52) PDPK1RAF1TLK2JAK3CCNB2
SCHEMBL3578693 0.89 JAK3 (0.52) PDPK1RAF1TLK2JAK3CCNB2
SCHEMBL3581086 0.87 PDPK1 (0.39) PDPK1TLK2CCNB2CDK1CCNB1
SCHEMBL3572331 0.87 LMNA (0.45) PDPK1RAF1TLK2JAK3CCNB2
SCHEMBL3581209 0.87 NOX4 (0.44) PDPK1RAF1TLK2JAK3AURKA
SCHEMBL3570002 0.87 AKT2 (0.39) PDPK1RAF1TLK2TGM2AKT2

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 82/4885RAF1 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.