SCHEMBL681348

SCHEMBL681348

C=C(C(C)C)[C@H](CNC(C)C)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.39
AKT3 Q9Y243 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
MTOR P42345 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12194485 1.00 MAPT (0.43) MAPTCYP1A2AKT3ADRB2ADRB1
SCHEMBL680095 0.85 ADRB2 (0.43) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL17803795 0.85 ADRB2 (0.43) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL681806 0.84 CYP1A2 (0.37) MAPTCYP1A2KDM4ELMNAALDH1A1
SCHEMBL16263186 0.84 MAPT (0.43) MAPTCYP1A2AKT3ADRB2ADRB1
SCHEMBL680060 0.84 ADRB2 (0.44) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL681135 0.84 L3MBTL1 (0.40) CYP1A2AKT3KDM4EMEN1KMT2A
SCHEMBL681545 0.84 L3MBTL1 (0.40) CYP1A2AKT3KDM4EMEN1KMT2A
SCHEMBL681261 0.84 MAPT (0.43) MAPTCYP1A2AKT3ADRB2ADRB1
SCHEMBL14304469 0.84 MAPT (0.43) MAPTCYP1A2AKT3ADRB2ADRB1

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 MAPT 623/4885CYP1A2 999/4885AKT3 8/4885

“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.