SCHEMBL1900549

SCHEMBL1900549

CCn1c(NCCO)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.40
CHEK1 O14757 3/20 0.40
MAP2K1 Q02750 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
TNK2 Q07912 5/20 0.35
LCK P06239 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CDK1 P06493 1/20 0.34
EGFR P00533 2/20 0.34
BTK Q06187 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL14118911 0.91 AKT1 (0.40) AURKACHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL1905986 0.91 AURKA (0.39) AURKACHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL1906521 0.90 AURKA (0.41) AURKACHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL1906102 0.90 TNK2 (0.36) AURKACHEK1ALDH1A1TNK2LCK
SCHEMBL14118819 0.90 AURKA (0.38) AURKACHEK1MAP2K1ALDH1A1TNK2
SCHEMBL1903457 0.90 ALDH1A1 (0.42) AURKACHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL1901920 0.88 AURKA (0.41) AURKACHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL1902104 0.85 TNK2 (0.35) AURKACHEK1ALDH1A1TNK2LCK
SCHEMBL1901455 0.84 TNK2 (0.37) AURKACHEK1TNK2LCK
SCHEMBL1904185 0.84 AURKA (0.37) AURKACHEK1ALDH1A1KDM4ETNK2

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 AURKA 527/4885CHEK1 168/4885MAP2K1 459/4885

“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.