SCHEMBL362017

SCHEMBL362017

CC(C)(C)Nc1c(-c2ccccc2)c(-c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)nc2nc(-c3ccccn3)nn12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.46
AKT2 P31751 14/20 0.46
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KIT P10721 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL361079 0.93 AKT1 (0.47) AKT1AKT2BRD4
SCHEMBL10279771 0.92 AKT1 (0.46) AKT1AKT2
SCHEMBL10279772 0.86 AKT1 (0.44) AKT1AKT2CNR1CNR2KIT
SCHEMBL362285 0.84 AKT1 (0.48) AKT1AKT2
SCHEMBL10279755 0.81 AKT1 (0.51) AKT1AKT2CNR1CNR2KIT
SCHEMBL362189 0.80 AKT1 (0.52) AKT1AKT2CNR1CNR2KIT
SCHEMBL10279754 0.79 AKT1 (0.49) AKT1AKT2CNR1CNR2KIT
SCHEMBL15116250 0.79 AKT1 (0.48) AKT1AKT2CNR1CNR2KIT
SCHEMBL10279928 0.79 AKT1 (0.49) AKT1AKT2CNR1CNR2KIT
SCHEMBL15106808 0.78 AKT1 (0.49) AKT1AKT2CNR1CNR2KIT

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-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD AKT1 42/4885AKT2 24/4885CNR1 2335/4885

“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.