SCHEMBL239223

SCHEMBL239223

O=c1[nH]c2c(cnc3cc(C4CCC4)nn32)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PLAT P00750 9/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
KDR P35968 2/20 0.36
ADORA2A P29274 1/20 0.35
FYN P06241 1/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL237744 0.96 PLAT (0.40) PARP1PLATKDM4ENPC1RAB9A
SCHEMBL237769 0.80 AURKA (0.46) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL239244 0.79 PLAT (0.44) PARP1PLATKDM4EADORA3FYN
SCHEMBL240253 0.79 NPC1 (0.47) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL238959 0.79 HPGD (0.40) KDM4ENPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL2755211 0.78 NPC1 (0.49) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL238085 0.78 KDM4E (0.46) PARP1PLATKDM4ENPC1RAB9A
SCHEMBL239305 0.78 KDM4E (0.41) PARP1PLATKDM4ENPC1RAB9A
SCHEMBL237826 0.78 MET (0.38) PLATKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL236397 0.77 PDK2 (0.43) PARP1PLATKDM4ENPC1RAB9A

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 PARP1 1540/4885PLAT 1906/4885KDM4E 2166/4885

“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.