SCHEMBL239674

SCHEMBL239674

Cc1cc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SIK2 Q9H0K1 2/20 0.38
PKM P14618 2/20 0.37
PTGES O14684 2/20 0.36
AURKA O14965 1/20 0.36
CYP1A2 P05177 2/20 0.36
PARP1 P09874 1/20 0.36
PAK1 Q13153 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 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
SCHEMBL238115 0.88 PKM (0.38) TP53POLBNPC1KMT2ASMN1; SMN2
SCHEMBL3248277 0.86 ADORA2A (0.40) NPC1PKMAURKACYP1A2PARP1
SCHEMBL237769 0.85 AURKA (0.46) TP53KDM4ENPC1KMT2ASMN1; SMN2
SCHEMBL236941 0.84 GABRA1 (0.41) KDM4ENPC1KMT2ASMN1; SMN2HPGD
SCHEMBL238383 0.84 KDM4E (0.41) TP53POLBKDM4ESMN1; SMN2HPGD
SCHEMBL238612 0.84 TRPA1 (0.41) HPGDHSD17B10
SCHEMBL238920 0.83 NPC1 (0.56) TP53KDM4ENPC1KMT2ASMN1; SMN2
SCHEMBL236899 0.82 CHEK1 (0.51) TP53NPC1KMT2ASMN1; SMN2MEN1
SCHEMBL236940 0.80 KDR (0.41) TP53KDM4ENPC1KMT2ASMN1; SMN2
SCHEMBL236176 0.79 HTT (0.47) TP53POLBKDM4ENPC1KMT2A

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 4 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
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 TP53 214/4885POLB 1307/4885KDM4E 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.