SCHEMBL1904486

SCHEMBL1904486

NC1(c2ccc(-c3oc4ncn(CC(F)F)c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.38
TNK2 Q07912 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL1899701 0.88 AKT1 (0.44) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1904172 0.88 AKT1 (0.55) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1903247 0.87 AKT1 (0.46) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1901105 0.86 AKT1 (0.45) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1902457 0.85 AKT1 (0.44) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1902773 0.85 AKT1 (0.44) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1902833 0.85 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL14118783 0.84 AKT1 (0.41) AKT1ALDH1A1HPGDHSD17B10KDR
SCHEMBL12677080 0.84 AKT1 (0.44) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1907318 0.82 AKT1 (0.53) AKT1ALDH1A1KDM4ENPSR1HPGD

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 8 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
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
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 1/4885ALDH1A1 4803/4885KDM4E 2856/4885

“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.