SCHEMBL16263186

SCHEMBL16263186

CC(C)NC[C@H](C(=O)C(C)C)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
AKT3 Q9Y243 1/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.38
ADRB2 P07550 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL14304469 1.00 MAPT (0.43) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL681261 1.00 MAPT (0.43) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL12188419 0.85 CYP1A2 (0.47) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL10255848 0.85 CYP1A2 (0.47) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL16264741 0.85 CYP1A2 (0.47) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL680693 0.85 ADRB2 (0.47) MAPTCYP1A2POLBADRB2KDM4E
SCHEMBL12168505 0.85 ADRB2 (0.47) MAPTCYP1A2POLBADRB2KDM4E
SCHEMBL681357 0.84 CYP1A2 (0.40) MAPTAKT3CYP1A2POLBSMN1; SMN2
SCHEMBL2738438 0.84 ALOX5 (0.45) MAPTAKT3CYP1A2POLBALOX5
SCHEMBL2738514 0.84 ALOX5 (0.45) MAPTAKT3CYP1A2POLBALOX5

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 3 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-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAPT 3868/4885AKT3 4/4885CYP1A2 956/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAPT 3868/4885AKT3 4/4885CYP1A2 956/4885

“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.