SCHEMBL238806

SCHEMBL238806

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCN(C)CC5)cc4)nc3n2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.46
AKT2 P31751 12/20 0.46
TNIK Q9UKE5 1/20 0.46
ACVR1 Q04771 2/20 0.45
KCNH2 Q12809 2/20 0.44
CHKA P35790 1/20 0.44
KDR P35968 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TGFBR1 P36897 1/20 0.41

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 0.92 AKT1 (0.44) AKT1AKT2ACVR1KDM4EALDH1A1
SCHEMBL16986799 0.91 AKT1 (0.44) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL238693 0.90 KDM1A (0.45) AKT1AKT2ACVR1
SCHEMBL238553 0.90 ACVR1 (0.45) AKT1AKT2ACVR1KDM4EALDH1A1
SCHEMBL237425 0.89 KDR (0.51) AKT1AKT2KDR
SCHEMBL237932 0.88 AKT1 (0.49) AKT1AKT2
SCHEMBL234283 0.88 AKT1 (0.49) AKT1AKT2ACVR1
SCHEMBL238125 0.87 GAA (0.47) KCNH2KDM4EALDH1A1HPGDNPSR1
SCHEMBL236743 0.86 AKT1 (0.55) AKT1AKT2
SCHEMBL237453 0.85 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 AKT1 13/4885AKT2 4/4885TNIK 192/4885

“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.