SCHEMBL361759

SCHEMBL361759

Cc1nc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c(C)n2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.53
AKT2 P31751 12/20 0.53
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TACR3 P29371 1/20 0.37
KIT P10721 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC16A3 O15427 1/20 0.36

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
SCHEMBL10279755 0.91 AKT1 (0.51) AKT1AKT2CNR1CNR2TACR3
SCHEMBL362189 0.90 AKT1 (0.52) AKT1AKT2CNR1CNR2TACR3
SCHEMBL10279928 0.88 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL10279754 0.88 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL15106808 0.88 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL15116250 0.87 AKT1 (0.48) AKT1AKT2CNR1CNR2TACR3
SCHEMBL10279757 0.85 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL10279926 0.85 AKT1 (0.47) AKT1AKT2CNR1CNR2TACR3
SCHEMBL362872 0.85 AKT1 (0.47) AKT1AKT2CNR1CNR2TACR3
SCHEMBL10279756 0.85 AKT1 (0.47) AKT1AKT2CNR1CNR2TACR3

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 4 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
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

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.