SCHEMBL680094

SCHEMBL680094

C=C(C(CN)c1ccc(Cl)c(Cl)c1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 1/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 9/20 0.35
CYP3A4 P08684 7/20 0.35
CYP2D6 P10635 7/20 0.35
KCNH2 Q12809 6/20 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
SCHEMBL681137 0.82 ADRB2 (0.42) LMNASMN1; SMN2SLC6A4SLC6A3CYP3A4
SCHEMBL12193936 0.81 ALDH1A1 (0.43) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL681170 0.81 ALDH1A1 (0.43) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL681176 0.79 ALDH1A1 (0.44) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL14304005 0.77 ALDH1A1 (0.42) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL14308721 0.76 ALDH1A1 (0.46) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL684406 0.76 ALDH1A1 (0.46) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL8225216 0.73 LMNA (0.44) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL17424876 0.73 LMNA (0.44) AKR1C3AKR1C2ALDH1A1LMNAHTT
SCHEMBL684414 0.73 SLC6A2 (0.49) AKR1C3AKR1C2ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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 (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-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA AKR1C3 1782/4885AKR1C2 1098/4885ALDH1A1 2418/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 AKR1C3 828/4885AKR1C2 737/4885ALDH1A1 2573/4885

“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.