SCHEMBL234639

SCHEMBL234639

C[C@]1(O)C[C@](c2ccc(-c3nc4c(cnc5c(C#N)cnn54)cc3-c3ccccc3)cc2)(N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDR P35968 1/20 0.34
AKT1 P31749 9/20 0.33
AKT2 P31751 7/20 0.33
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL234638 1.00 KDM4D (0.37) KDM4DKDM4EALDH1A1HPGDMAPK1
SCHEMBL239143 0.88 KDR (0.35) KDRAKT1AKT2
SCHEMBL2755364 0.88 KDR (0.35) KDRAKT1AKT2
SCHEMBL239142 0.88 KDR (0.35) KDRAKT1AKT2
SCHEMBL239065 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10AKT1
SCHEMBL239066 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10AKT1
SCHEMBL238509 0.85 AKT1 (0.46) AKT1AKT2
SCHEMBL238510 0.85 AKT1 (0.46) AKT1AKT2
SCHEMBL2755222 0.84 AKT1 (0.37) AKT1AKT2
SCHEMBL237375 0.84 AKT1 (0.37) 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 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 KDM4D 2980/4885KDM4E 2166/4885ALDH1A1 3980/4885

“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.