SCHEMBL238125

SCHEMBL238125

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCN(Cc6ccc7c(c6)OCO7)CC5)cc4)nc3n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP2D6 P10635 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL238806 0.87 AKT1 (0.46) ALDH1A1KDM4ENPSR1KCNH2HPGD
SCHEMBL238553 0.86 ACVR1 (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL235841 0.86 AKT1 (0.44) ALDH1A1KDM4ENPSR1CYP2D6CYP2C19
SCHEMBL16986799 0.85 AKT1 (0.44) ALDH1A1KDM4ENPSR1HPGD
SCHEMBL238693 0.85 KDM1A (0.45)
SCHEMBL237425 0.83 KDR (0.51) KMT2AMEN1
SCHEMBL234283 0.83 AKT1 (0.49)
SCHEMBL237932 0.83 AKT1 (0.49)
SCHEMBL236743 0.81 AKT1 (0.55)
SCHEMBL236766 0.80 AKT1 (0.53)

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 GAA 876/4885KMT2A 1843/4885MEN1 1044/4885

“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.