SCHEMBL238693

SCHEMBL238693

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCNCC5)cc4)nc3n2n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
LYN P07948 1/20 0.44
SRC P12931 1/20 0.44
AKT1 P31749 16/20 0.43
AKT2 P31751 14/20 0.43
ACVR1 Q04771 1/20 0.40
AKT3 Q9Y243 1/20 0.39

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) AKT1AKT2ACVR1
SCHEMBL16986799 0.90 AKT1 (0.44) AKT1AKT2AKT3
SCHEMBL238806 0.90 AKT1 (0.46) AKT1AKT2ACVR1
SCHEMBL238553 0.89 ACVR1 (0.45) KDM1AAKT1AKT2ACVR1
SCHEMBL234283 0.88 AKT1 (0.49) AKT1AKT2ACVR1
SCHEMBL237932 0.88 AKT1 (0.49) AKT1AKT2
SCHEMBL237425 0.86 KDR (0.51) AKT1AKT2
SCHEMBL236743 0.85 AKT1 (0.55) AKT1AKT2
SCHEMBL238125 0.85 GAA (0.47)
SCHEMBL237453 0.84 AKT1 (0.64) 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
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
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

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 KDM1A 3251/4885LYN 1203/4885SRC 384/4885

“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.