SCHEMBL1904495

SCHEMBL1904495

O=C(O)NC1(c2ccc(-c3oc4ncn(CC5CC5)c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TNK2 Q07912 10/20 0.37
AURKA O14965 4/20 0.37
LCK P06239 4/20 0.36
KDR P35968 2/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL1906905 0.90 AKT1 (0.40) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL14118733 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1902566 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1904896 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1902833 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1908186 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL14118955 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1902773 0.85 AKT1 (0.44) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL1901320 0.85 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1HSD17B10USP2
SCHEMBL14118794 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10USP2

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 ALDH1A1 4803/4885KDM4E 2856/4885NPSR1 4172/4885

“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.