SCHEMBL925683

SCHEMBL925683

C[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.42
AKT1 P31749 15/20 0.41
AKT2 P31751 15/20 0.41
AKT3 Q9Y243 15/20 0.41
PIK3CA P42336 1/20 0.41
PRKG1 Q13976 1/20 0.41
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAP4K4 O95819 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
SCHEMBL925709 1.00 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL925708 1.00 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL925579 1.00 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL925711 1.00 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL14327680 0.91 KIT (0.44) KITAKT1AKT2AKT3PIK3CA
SCHEMBL191209 0.88 ALDH1A1 (0.52) KITAKT1AKT2AKT3PIK3CA
SCHEMBL14312259 0.88 ALDH1A1 (0.52) KITAKT1AKT2AKT3PIK3CA
SCHEMBL192756 0.88 ALDH1A1 (0.52) KITAKT1AKT2AKT3PIK3CA
SCHEMBL2367375 0.88 ALDH1A1 (0.52) KITAKT1AKT2AKT3PIK3CA
SCHEMBL3117920 0.88 AKT1 (0.42) KITAKT1AKT2AKT3PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409886-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-08-09 US disclosed
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-02 US disclosed
EP-2170863-B1 Pyrimido cyclopentanes useful for the treatment of inflammatory or hyperproliferative diseases ARRAY BIOPHARMA INC (US) 2015-09-02 EP disclosed
US-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8618097-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2013-12-31 US disclosed
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2011-01-20 US disclosed
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 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 (3 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-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 KIT 1644/4885AKT1 3/4885AKT2 4/4885
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 KIT 1644/4885AKT1 3/4885AKT2 4/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 KIT 1450/4885AKT1 3/4885AKT2 4/4885

“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.