SCHEMBL3574883

SCHEMBL3574883

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CNCCN3CCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.39
PDPK1 O15530 2/20 0.39
AKT2 P31751 2/20 0.39
CHEK1 O14757 4/20 0.38
PIM2 Q9P1W9 3/20 0.37
FLT3 P36888 2/20 0.37
AURKB Q96GD4 2/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
KMT2A Q03164 3/20 0.36
MITF O75030 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3574878 0.93 PDPK1 (0.41) PIM1PDPK1AKT2CHEK1PIM2
SCHEMBL3567211 0.90 CHEK1 (0.38) PIM1PDPK1AKT2CHEK1PIM2
SCHEMBL3575052 0.90 PIM1 (0.41) PIM1PDPK1AKT2CHEK1PIM2
SCHEMBL3572532 0.89 CSF1R (0.40) PIM1PDPK1AKT2PIM2KMT2A
SCHEMBL3572031 0.85 LTA4H (0.47) FLT3KDR
SCHEMBL3582377 0.84 LTA4H (0.46) KDR
SCHEMBL3571538 0.84 KDM4E (0.47) MET
SCHEMBL3567940 0.83 AKT2 (0.42) AKT2CHEK1PDGFRBKDRKMT2A
SCHEMBL3575067 0.83 PIM1 (0.42) PIM1PDPK1AKT2AURKBMITF
SCHEMBL3575048 0.83 PDPK1 (0.43) PIM1PDPK1AKT2CHEK1PIM2

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 PIM1 498/4885PDPK1 82/4885AKT2 94/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885PDPK1 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.