SCHEMBL1900461

SCHEMBL1900461

NC1(c2ccc(-c3oc4nc(NCCO)n(CC5CC5)c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAP2K1 Q02750 1/20 0.40
AKT1 P31749 15/20 0.39
AKT2 P31751 8/20 0.39
LCK P06239 3/20 0.35
TNK2 Q07912 3/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
ABL1 P00519 1/20 0.35
LYN P07948 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL1901920 0.90 AURKA (0.41) KDM4EALDH1A1MAPTCHEK1AURKA
SCHEMBL14119144 0.89 AKT1 (0.39) AKT1AKT2TNK2
SCHEMBL1903457 0.88 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL14118931 0.88 AKT1 (0.41) ALDH1A1MAPTCHEK1AURKAMAP2K1
SCHEMBL1901112 0.88 CHEK1 (0.43) KDM4EALDH1A1MAPTHPGDCHEK1
SCHEMBL12095377 0.87 CHEK1 (0.40) CHEK1AURKAMAP2K1AKT1AKT2
Hydrochloric Acid SCHEMBL14119158 0.87 CHEK1 (0.42) KDM4EALDH1A1MAPTHPGDCHEK1
SCHEMBL1904665 0.78 AKT1 (0.40) AKT1AKT2
SCHEMBL1902986 0.78 AKT1 (0.41) AKT1AKT2
SCHEMBL1903240 0.78 AKT1 (0.43) AKT1AKT2

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 6 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 claimed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP claimed
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
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 KDM4E 2856/4885ALDH1A1 4803/4885LMNA 3189/4885

“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.