SCHEMBL3567940

SCHEMBL3567940

Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(NCCN3CCOCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.42
MAP3K8 P41279 1/20 0.40
PAK1 Q13153 8/20 0.39
CHEK1 O14757 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
ABL1 P00519 1/20 0.38
KMT2A Q03164 1/20 0.38
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL3567938 0.93 AKT2 (0.44) AKT2MAP3K8PAK1CHEK1PDGFRB
SCHEMBL3575052 0.93 PIM1 (0.41) AKT2PAK1CHEK1PDGFRBFGFR1
SCHEMBL3578299 0.87 CSF1R (0.46) CHEK1PDGFRB
SCHEMBL3579269 0.87 HTR7 (0.39) AKT2CHEK1PDGFRBFGFR1KDR
SCHEMBL3575048 0.85 PDPK1 (0.43) AKT2PAK1CHEK1PDGFRBKDR
SCHEMBL3574883 0.83 PIM1 (0.39) AKT2PAK1CHEK1PDGFRBKDR
SCHEMBL3567211 0.83 CHEK1 (0.38) AKT2PAK1CHEK1PDGFRBKDR
SCHEMBL4994128 0.81 PDGFRB (0.47) AKT2PAK1CHEK1PDGFRBFGFR1
SCHEMBL4994134 0.81 PDGFRB (0.47) AKT2PAK1CHEK1PDGFRBFGFR1
SCHEMBL3581713 0.81 PIM1 (0.41) AKT2PDGFRBKDR

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 AKT2 94/4885MAP3K8 16/4885PAK1 410/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AKT2 168/4885MAP3K8 14/4885PAK1 190/4885

“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.