SCHEMBL681685

SCHEMBL681685

C=C(C(CNC)c1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR1A P08908 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 5/20 0.35
LMNA P02545 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
SCHEMBL680067 0.84 LMNA (0.33) ADRB1ADRB3ALDH1A1HIF1AKDM4E
SCHEMBL681167 0.82 LMNA (0.40) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL2739002 0.76 ESR1 (0.42) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL12288558 0.75 HTT (0.44) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL683618 0.73 HTT (0.40) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL10258493 0.73 HTT (0.43) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL2299016 0.71 KDM4E (0.68) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL2294173 0.71 KDM4E (0.68) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL3443558 0.71 KDM4E (0.68) SLC6A2SLC6A4ADRB1ADRB3ADRA2A
SCHEMBL6416831 0.70 SLC6A4 (0.45) SLC6A2SLC6A4ADRB1ADRB3ADRA2A

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 SLC6A2 4011/4885SLC6A4 3433/4885ADRB1 3921/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885SLC6A4 1998/4885ADRB1 3580/4885

“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.