SCHEMBL3567211

SCHEMBL3567211

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCN3CCCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.38
PDPK1 O15530 2/20 0.38
AKT2 P31751 2/20 0.38
PIM1 P11309 4/20 0.38
PAK1 Q13153 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
TGM2 P21980 1/20 0.35
SYK P43405 2/20 0.34
JAK2 O60674 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL3567208 0.92 AKT2 (0.40) CHEK1PDPK1AKT2PIM1PAK1
SCHEMBL3572532 0.92 CSF1R (0.40) PDPK1AKT2PIM1PIM2TGM2
SCHEMBL3574883 0.90 PIM1 (0.39) CHEK1PDPK1AKT2PIM1PAK1
SCHEMBL3575052 0.90 PIM1 (0.41) CHEK1PDPK1AKT2PIM1PAK1
SCHEMBL3572031 0.88 LTA4H (0.47) KDRFLT3
SCHEMBL3582377 0.87 LTA4H (0.46) KDR
SCHEMBL3578100 0.87 PIM1 (0.40) PDPK1AKT2PIM1TGM2FLT3
SCHEMBL3571538 0.86 KDM4E (0.47) MET
SCHEMBL3575067 0.86 PIM1 (0.42) PDPK1AKT2PIM1TGM2AURKB
SCHEMBL3581713 0.85 PIM1 (0.41) PDPK1AKT2PIM1TGM2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
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 CHEK1 539/4885PDPK1 82/4885AKT2 94/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CHEK1 161/4885PDPK1 86/4885AKT2 168/4885

“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.