SCHEMBL237744

SCHEMBL237744

O=c1[nH]c2c(cnc3cc(C4CC4)nn32)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAT P00750 11/20 0.40
FYN P06241 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL239223 0.96 PARP1 (0.41) PLATFYNKDM4ENPC1RAB9A
SCHEMBL239244 0.83 PLAT (0.44) PLATFYNKDM4EPARP1ALDH1A1
SCHEMBL239305 0.82 KDM4E (0.41) PLATFYNKDM4ENPC1RAB9A
SCHEMBL237769 0.81 AURKA (0.46) KDM4ENPC1RAB9ASMN1; SMN2PARP1
SCHEMBL236397 0.81 PDK2 (0.43) PLATKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL238959 0.81 HPGD (0.40) KDM4ENPC1RAB9ASMN1; SMN2KDR
SCHEMBL240253 0.81 NPC1 (0.47) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2755211 0.80 NPC1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2PARP1
SCHEMBL238085 0.80 KDM4E (0.46) PLATFYNKDM4ENPC1RAB9A
SCHEMBL237826 0.80 MET (0.38) PLATKDM4ENPC1RAB9ASMN1; SMN2

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 PLAT 1906/4885FYN 496/4885KDM4E 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.