SCHEMBL1903345

SCHEMBL1903345

COCCNc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
AURKA O14965 4/20 0.37
NPPA P01160 1/20 0.35
MME P08473 1/20 0.35
TNK2 Q07912 3/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
CHEK1 O14757 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MERTK Q12866 1/20 0.34
TACR3 P29371 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1903935 0.93 AURKA (0.41) EGFRAURKATNK2CHEK1KDM4E
SCHEMBL14119067 0.92 AURKA (0.37) EGFRAURKATNK2AKT1AKT2
SCHEMBL1904752 0.92 AKT1 (0.41) EGFRAURKANPPAMMETNK2
SCHEMBL1904297 0.91 KMT2A (0.42) EGFRAURKATNK2CHEK1KDM4E
SCHEMBL1903904 0.91 KMT2A (0.43) EGFRAURKATNK2CHEK1MEN1
SCHEMBL1905446 0.88 EGFR (0.37) EGFRAURKATNK2AKT1AKT2
SCHEMBL12095441 0.88 LCK (0.39) EGFRAURKATNK2KDM4EMEN1
SCHEMBL1902971 0.87 MERTK (0.37) EGFRAURKATNK2AKT1AKT2
SCHEMBL1901081 0.86 AKT1 (0.42) TNK2AKT1AKT2KDM4EALDH1A1
SCHEMBL1900006 0.85 EGFR (0.39) EGFRAURKATNK2AKT1AKT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 EGFR 348/4885AURKA 527/4885NPPA 3454/4885

“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.