SCHEMBL3567208

SCHEMBL3567208

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCN3CCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.40
PDPK1 O15530 2/20 0.40
CHEK1 O14757 3/20 0.38
PIM1 P11309 2/20 0.38
OPRM1 P35372 4/20 0.37
PAK1 Q13153 2/20 0.37
ARRB1 P49407 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SYK P43405 2/20 0.36
JAK2 O60674 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
BTK Q06187 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3567211 0.92 CHEK1 (0.38) AKT2PDPK1CHEK1PIM1PAK1
SCHEMBL4756990 0.92 OPRM1 (0.37) AKT2PDPK1CHEK1OPRM1ARRB1
SCHEMBL3572525 0.91 GAA (0.40) AKT2PDPK1CHEK1OPRM1OPRK1
SCHEMBL3574878 0.90 PDPK1 (0.41) AKT2PDPK1CHEK1PIM1OPRM1
SCHEMBL3575048 0.90 PDPK1 (0.43) AKT2PDPK1CHEK1PIM1PAK1
SCHEMBL3572021 0.88 LTA4H (0.48) KDM4EALDH1A1
SCHEMBL3582374 0.87 LTA4H (0.47) KDM4EALDH1A1
SCHEMBL3578097 0.87 AKT2 (0.39) AKT2PDPK1PIM1
SCHEMBL3571532 0.86 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL3575063 0.86 PLAU (0.41) AKT2PDPK1PIM1

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 AKT2 94/4885PDPK1 82/4885CHEK1 539/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AKT2 168/4885PDPK1 86/4885CHEK1 161/4885

“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.