SCHEMBL239244

SCHEMBL239244

O=c1[nH]c2c(cnc3cc(C4CC4)nn32)cc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.44
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHEK1 O14757 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PARP1 P09874 4/20 0.35
FYN P06241 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL235360 0.84 CASP1 (0.45) PLATALDH1A1HPGDMAPTKDM4E
SCHEMBL2755188 0.83 ALDH1A1 (0.42) PLATALDH1A1HPGDKDM4EMAPK1
SCHEMBL237744 0.83 PLAT (0.40) PLATALDH1A1HPGDMAPTKDM4E
SCHEMBL236682 0.81 KDM5B (0.38) PLATALDH1A1HPGDMAPTKDM4E
SCHEMBL234907 0.80 PLAT (0.36) PLATALDH1A1HPGDMAPTKDM4E
SCHEMBL239223 0.79 PARP1 (0.41) PLATKDM4ECHEK1CCNA2CDK2
SCHEMBL2755265 0.78 PIM1 (0.42) PLATALDH1A1HPGDKDM4ECHEK1
SCHEMBL239178 0.77 ALDH1A1 (0.37) PLATALDH1A1HPGDMAPTKDM4E
SCHEMBL239305 0.70 KDM4E (0.41) PLATALDH1A1HPGDKDM4ECYP1A2
SCHEMBL10287182 0.67 AKT1 (0.36)

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 5 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

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 PLAT 1906/4885ALDH1A1 3980/4885HPGD 3459/4885

“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.