SCHEMBL236540

SCHEMBL236540

CC(C)(C)c1cc2ncc3cc(-c4ccccc4)c(=O)[nH]c3n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
KCNQ3 O43525 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
SCHEMBL238959 0.89 HPGD (0.40) LMNARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL237769 0.87 AURKA (0.46) AURKARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL236019 0.86 PLAT (0.35) NPC1MAPTLYNSRCADORA3
SCHEMBL234906 0.85 BTK (0.36) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2755211 0.83 NPC1 (0.49) AURKALMNARAB9ANPC1KDM4E
SCHEMBL237826 0.83 MET (0.38) LMNARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL234907 0.83 PLAT (0.36) KDM4EMAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL240253 0.80 NPC1 (0.47) AURKALMNARAB9ANPC1KDM4E
SCHEMBL237744 0.79 PLAT (0.40) RAB9ANPC1KDM4ESMN1; SMN2NPSR1
SCHEMBL238085 0.79 KDM4E (0.46) AURKALMNARAB9ANPC1KDM4E

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 AURKA 470/4885LMNA 2724/4885RAB9A 778/4885

“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.