SCHEMBL238553

SCHEMBL238553

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCOCC5)cc4)nc3n2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.45
SLC2A1 P11166 2/20 0.45
AKT1 P31749 6/20 0.43
AKT2 P31751 6/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
ADORA2A P29274 1/20 0.43
KDM1A O60341 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
NPC1 O15118 1/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL235841 0.91 AKT1 (0.44) ACVR1AKT1AKT2KDM4EALDH1A1
SCHEMBL16986799 0.90 AKT1 (0.44) AKT1AKT2KDM4EALDH1A1
SCHEMBL238806 0.90 AKT1 (0.46) ACVR1AKT1AKT2KDM4EALDH1A1
SCHEMBL238693 0.89 KDM1A (0.45) ACVR1AKT1AKT2KDM1A
SCHEMBL235465 0.89 AKT1 (0.51) AKT1AKT2SMN1; SMN2ALDH1A1
SCHEMBL237932 0.88 AKT1 (0.49) AKT1AKT2
SCHEMBL234283 0.88 AKT1 (0.49) ACVR1AKT1AKT2
SCHEMBL2755250 0.86 AKT1 (0.51) AKT1AKT2
SCHEMBL238125 0.86 GAA (0.47) SMN1; SMN2KDM4EALDH1A1
SCHEMBL237425 0.86 KDR (0.51) AKT1AKT2JAK2JAK1ADORA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 ACVR1 1746/4885SLC2A1 897/4885AKT1 13/4885

“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.