SCHEMBL361922

SCHEMBL361922

Cn1cc(-c2nc3nc(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(-c4ccccc4)cn3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.48
AKT2 P31751 4/20 0.48
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
RET P07949 2/20 0.38
BTK Q06187 1/20 0.36
IRAK1 P51617 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KIT P10721 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
SCHEMBL867621 0.93 AKT1 (0.50) AKT1AKT2CNR1CNR2KIT
SCHEMBL370716 0.87 AKT1 (0.51) AKT1AKT2CNR1CNR2
SCHEMBL362980 0.86 AKT1 (0.53) AKT1AKT2CNR1CNR2
SCHEMBL868443 0.86 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL867705 0.86 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL360773 0.85 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL361408 0.85 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL539000 0.85 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL16481138 0.84 AKT1 (0.50) AKT1AKT2CNR1CNR2
SCHEMBL361275 0.84 AKT1 (0.46) AKT1AKT2CNR1CNR2

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 24/4885GSK3B 263/4885

“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.