SCHEMBL1907544

SCHEMBL1907544

Cc1nc(NCCO)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
AKT2 P31751 1/20 0.40
AURKA O14965 3/20 0.39
CHEK1 O14757 3/20 0.39
MAP2K1 Q02750 1/20 0.39
KIT P10721 2/20 0.35
CDK1 P06493 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
EGFR P00533 3/20 0.33
TNK2 Q07912 4/20 0.32
LCK P06239 2/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL1904186 0.91 AURKA (0.43) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL14118837 0.91 AURKA (0.42) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL14118759 0.91 AKT1 (0.40) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL1905182 0.90 AURKA (0.41) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL1906397 0.90 AKT1 (0.39) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL14118884 0.87 ALDH1A1 (0.41) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL14118738 0.84 AKT1 (0.41) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL1904752 0.84 AKT1 (0.41) AKT1AKT2AURKACHEK1KIT
SCHEMBL1906684 0.84 AKT1 (0.41) AKT1AKT2AURKACHEK1MAP2K1
SCHEMBL14118674 0.84 AKT1 (0.42) AKT1AKT2AURKACHEK1KIT

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 AKT1 1/4885AKT2 2/4885AURKA 527/4885

“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.