SCHEMBL360660

SCHEMBL360660

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.46
AKT2 P31751 10/20 0.46
KIT P10721 1/20 0.37
SCN9A Q15858 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TTK P33981 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
SCHEMBL10280375 0.90 AKT1 (0.45) AKT1AKT2KITCNR1CNR2
SCHEMBL362690 0.90 AKT1 (0.46) AKT1AKT2KIT
SCHEMBL539036 0.90 AKT1 (0.46) AKT1AKT2KITSCN9ACNR1
SCHEMBL10280374 0.89 AKT1 (0.45) AKT1AKT2KITCNR1CNR2
SCHEMBL15106188 0.88 AKT1 (0.44) AKT1AKT2KITCNR1CNR2
SCHEMBL10280380 0.88 AKT1 (0.48) AKT1AKT2KIT
SCHEMBL361402 0.88 AKT1 (0.51) AKT1AKT2KITCNR1CNR2
SCHEMBL868279 0.86 AKT1 (0.46) AKT1AKT2KITCNR1CNR2
SCHEMBL538629 0.86 AKT1 (0.47) AKT1AKT2KITCNR1CNR2
SCHEMBL866493 0.83 AKT1 (0.52) AKT1AKT2KITCNR1CNR2

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 24/4885KIT 121/4885

“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.