SCHEMBL362690

SCHEMBL362690

CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ncc(-c5ccc(S(C)(=O)=O)cc5)n4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.46
AKT2 P31751 10/20 0.46
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
KIT P10721 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 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
SCHEMBL360660 0.90 AKT1 (0.46) AKT1AKT2KIT
SCHEMBL10280374 0.87 AKT1 (0.45) AKT1AKT2KITCKS1BSKP1
SCHEMBL539036 0.86 AKT1 (0.46) AKT1AKT2KIT
SCHEMBL10280380 0.86 AKT1 (0.48) AKT1AKT2KIT
SCHEMBL15106188 0.86 AKT1 (0.44) AKT1AKT2KITCKS1BSKP1
SCHEMBL361402 0.86 AKT1 (0.51) AKT1AKT2KITCKS1BSKP1
SCHEMBL10280375 0.85 AKT1 (0.45) AKT1AKT2KIT
SCHEMBL868279 0.84 AKT1 (0.46) AKT1AKT2KITCKS1BSKP1
SCHEMBL538629 0.84 AKT1 (0.47) AKT1AKT2KITCKS1BSKP1
SCHEMBL526268 0.83 AKT1 (0.68) AKT1AKT2

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
CN-103189379-A Bicyclic pyrimidines BAYER IP GMBH 2013-07-03 CN 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 24/4885ALOX5 3026/4885

“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.