SCHEMBL680197

SCHEMBL680197

C=C(C(C)C)[C@H](CNC(C)C)c1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.40
ADRB1 P08588 5/20 0.40
ADRB3 P13945 4/20 0.40
MAPT P10636 4/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MTOR P42345 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 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
SCHEMBL681570 1.00 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL680064 0.87 PDPK1 (0.44) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL679632 0.86 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL681296 0.86 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL684236 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL12188347 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL17803796 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL681539 0.84 AKT1 (0.44) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL2738671 0.84 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL2738432 0.84 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTTSHR

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 5 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 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 (1 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ADRB2 4077/4885ADRB1 3580/4885ADRB3 4035/4885

“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.