SCHEMBL925222

SCHEMBL925222

O=C(Cc1ccc(C(F)(F)F)c(F)c1)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NAAA Q02083 3/20 0.37
FAAH O00519 1/20 0.36
HDAC1 Q13547 3/20 0.36
DRD4 P21917 1/20 0.36
P2RX7 Q99572 1/20 0.35
FOLH1 Q04609 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
PPARA Q07869 3/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PPARG P37231 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
SCHEMBL925221 1.00 AR (0.39) ARLMNAPKMNAAAFAAH
SCHEMBL3659859 0.86 HDAC1 (0.40) NAAAFAAHHDAC1PPARAPPARG
SCHEMBL3659863 0.86 HDAC1 (0.40) NAAAFAAHHDAC1PPARAPPARG
SCHEMBL5767504 0.83 TACR1 (0.44) NAAA
SCHEMBL5765764 0.83 TACR1 (0.44) NAAA
SCHEMBL2559137 0.82 CACNA1G (0.43) PKMNAAAFAAH
SCHEMBL2559140 0.82 CACNA1G (0.43) PKMNAAAFAAH
SCHEMBL16680346 0.82 CACNA1G (0.43) PKMNAAAFAAH
SCHEMBL1915643 0.82 NAAA (0.47) NAAAFAAHPPARA
SCHEMBL1915646 0.82 NAAA (0.47) NAAAFAAHPPARA

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-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
US-9187462-B2 Substituted quinazolines as serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-11-17 US disclosed
EP-2739618-B1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-09-16 EP 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-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-03-26 US 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 (4 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 AR 2466/4885LMNA 3017/4885PKM 323/4885
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 AR 2466/4885LMNA 3017/4885PKM 323/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 AR 2234/4885LMNA 3254/4885PKM 293/4885
US-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K3, MAP3K2 AR 518/4885LMNA 3071/4885PKM 1554/4885

“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.