SCHEMBL680067

SCHEMBL680067

C=C(C(CNCC)c1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
HIF1A Q16665 1/20 0.33
GALR3 O60755 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AOC3 Q16853 1/20 0.32
KCNQ2 O43526 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL681280 0.84 LMNA (0.35) LMNAHIF1AGALR3KMT2AADRB2
SCHEMBL681685 0.84 SLC6A2 (0.38) LMNAHIF1AKMT2AALDH1A1HTT
SCHEMBL681412 0.83 KCNQ2 (0.38) LMNAKMT2AALDH1A1HTTKDM4E
SCHEMBL12167815 0.78 ESR1 (0.40) LMNAALDH1A1HTTKDM4EKCNQ2
SCHEMBL10112582 0.76 HTT (0.42) LMNAALDH1A1HTTKDM4EKCNQ2
SCHEMBL684152 0.76 HTT (0.39) LMNAALDH1A1HTTKDM4EKCNQ2
SCHEMBL8224467 0.75 HTT (0.41) LMNAALDH1A1HTTKDM4EKCNQ2
SCHEMBL2297898 0.73 HIF1A (0.53) LMNAHIF1AGALR3KMT2AALDH1A1
SCHEMBL2291082 0.73 HIF1A (0.53) LMNAHIF1AGALR3KMT2AALDH1A1
SCHEMBL27711196 0.73 HIF1A (0.53) LMNAHIF1AGALR3KMT2AALDH1A1

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 6 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

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 LMNA 4215/4885HIF1A 1505/4885GALR3 4728/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 LMNA 3017/4885HIF1A 2434/4885GALR3 4769/4885

“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.