SCHEMBL1903247

SCHEMBL1903247

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.46
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
TNK2 Q07912 1/20 0.37
AKT2 P31751 2/20 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
SCHEMBL1904172 0.90 AKT1 (0.55) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL15276684 0.89 AURKA (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL16444043 0.89 AURKA (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL15276626 0.89 AURKA (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
Hydrochloric Acid SCHEMBL15265226 0.89 AURKA (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL15276625 0.89 ALDH1A1 (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL15276600 0.89 ALDH1A1 (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL16444190 0.89 ALDH1A1 (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
Hydrochloric Acid SCHEMBL15265223 0.89 AURKA (0.39) AKT1ALDH1A1KDM4ENPSR1HPGD
SCHEMBL1899701 0.88 AKT1 (0.44) 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 14 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
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO claimed
EP-2838901-B1 6-(4-(1-AMINO-3-HYDROXYCYCLOBUTYL)PHENYL)-5-PHENYL(FURO, THIENO OR PYRROLO)[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES FOR THE TREATMENT OF CANCER ALMAC DISCOVERY LTD (GB) 2016-11-02 EP disclosed
US-9156853-B2 AKT inhibitor compounds for treatment of cancer ALMAC DISCOVERY LIMITED (GB) 2015-10-13 US disclosed
US-9156853-B2 AKT inhibitor compounds for treatment of cancer ALMAC DISCOVERY LIMITED (GB) 2015-10-13 US disclosed
US-20150045377-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2015-02-12 US disclosed
US-20150045377-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2015-02-12 US disclosed
WO-2013140189-A1 6- (4- (1 -AMINO- 3 -HYDROXYCYCLOBUTYL) PHENYL) - 5 - PHENYL (FURO, THIENO OR PYRROLO) [2, 3-D] PYRIMIDIN- 4 - ONE DERIVATIVES FOR THE TREATMENT OF CANCER ALMAC DISCOVERY LIMITED (GB) 2013-09-26 WO 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
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 (2 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-20150045377-A1 PHARMACEUTICAL COMPOUNDS PLK1, PIK3CA, AKT2 AKT1 5/4885ALDH1A1 3278/4885KDM4E 2080/4885
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.