SCHEMBL681176

SCHEMBL681176

C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A4 P31645 6/20 0.41
AKT1 P31749 2/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 5/20 0.38
PNMT P11086 1/20 0.38
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
DCLK1 O15075 1/20 0.36
MAPK13 O15264 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
SCHEMBL680152 0.86 APP (0.38) AKT1RPS6KB1
SCHEMBL680722 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL12194482 0.81 GABBR2 (0.45) LMNASMN1; SMN2CYP3A4CYP2D6ROCK2
SCHEMBL14304005 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL681719 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL684406 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL14308721 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL680094 0.79 AKR1C3 (0.38) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL17424876 0.78 LMNA (0.44) ALDH1A1LMNAHTTSMN1; SMN2AKT1
SCHEMBL8225216 0.78 LMNA (0.44) ALDH1A1LMNAHTTSMN1; SMN2AKT1

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 ALDH1A1 2418/4885LMNA 4215/4885HTT 2471/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ALDH1A1 2573/4885LMNA 3017/4885HTT 2644/4885

“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.