SCHEMBL12448907

SCHEMBL12448907

CC(=O)N(CCN)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ FSCN1 Q16658 1/20 0.43
▸ PYCR1 P32322 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL12449102 0.87 IDO1 (0.46) IDO1CYP3A4EPHX1PYCR1SLC6A2
SCHEMBL12575211 0.86 SLC6A2 (0.49) IDO1CYP3A4EPHX1PYCR1SLC6A2
SCHEMBL2263360 0.81 IDO1 (0.42) IDO1CYP3A4EPHX1PYCR1SLC6A2
SCHEMBL12449803 0.78 ALDH1A1 (0.52) CYP3A4MEN1HTTKMT2A
SCHEMBL9824373 0.76 FSCN1 (0.53) IDO1CYP3A4FSCN1PYCR1SLC6A2
SCHEMBL17513270 0.75 TACR1 (0.38) IDO1CYP3A4MEN1HTTKMT2A
SCHEMBL15003280 0.75 PNMT (0.46) CYP3A4PYCR1SLC6A2SLC6A4CYP2D6
SCHEMBL11454882 0.74 PYCR1 (0.45) IDO1CYP3A4EPHX1PYCR1SLC6A2
SCHEMBL12638453 0.73 FSCN1 (0.57) IDO1CYP3A4EPHX1FSCN1SMN1; SMN2
SCHEMBL12637674 0.72 ROCK1 (0.47) CYP3A4MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-07-16 — — US disclosed
EP-2404907-B1 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-01-14 — — EP disclosed
EP-2173723-B3 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-19 — — EP disclosed
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2014-10-23 — — US disclosed
US-8846683-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-06-06 — — US disclosed
US-8377937-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-19 — — US disclosed
EP-2173723-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-08-31 — — EP disclosed
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2011-06-30 — — US 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-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 IDO1 1252/4885CYP3A4 1166/4885EPHX1 2576/4885
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 IDO1 1252/4885CYP3A4 1166/4885EPHX1 2576/4885
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 IDO1 1252/4885CYP3A4 1166/4885EPHX1 2576/4885
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 IDO1 1252/4885CYP3A4 1166/4885EPHX1 2576/4885

“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.

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