SCHEMBL1904601

SCHEMBL1904601

CC(O)CNc1nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
TNK2 Q07912 7/20 0.34
LCK P06239 3/20 0.34
LMNA P02545 2/20 0.34
KDR P35968 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
JAK3 P52333 1/20 0.34
CHEK1 O14757 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 1/20 0.33
TACR3 P29371 1/20 0.33
HPGD P15428 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
SCHEMBL14119414 0.91 AURKA (0.41) AURKATNK2LCKLMNAKDR
SCHEMBL14119239 0.91 AURKA (0.41) AURKATNK2LCKLMNAKDR
SCHEMBL14119242 0.91 AURKA (0.41) AURKATNK2LCKLMNAKDR
SCHEMBL1904185 0.90 AURKA (0.37) AURKATNK2LCKKDRJAK3
SCHEMBL1906521 0.89 AURKA (0.41) AURKATNK2LCKEGFRCHEK1
SCHEMBL1904617 0.88 CHEK1 (0.36) AURKATNK2LCKKDRJAK3
SCHEMBL1901289 0.88 AURKA (0.46) AURKALMNASMN1; SMN2
SCHEMBL1902277 0.88 AURKA (0.46) AURKALMNASMN1; SMN2
SCHEMBL1901287 0.88 AURKA (0.46) AURKALMNASMN1; SMN2
SCHEMBL1904734 0.88 ALDH1A1 (0.36) AURKATNK2KDRCHEK1ALDH1A1

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 527/4885TNK2 33/4885LCK 428/4885

“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.