SCHEMBL236310

SCHEMBL236310

Fc1ccc(-c2cc3ncc4cc(-c5ccccc5)c(Cl)nc4n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
STAT1 P42224 2/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.42
FYN P06241 2/20 0.41
AURKA O14965 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
CALCA P06881 1/20 0.41

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
SCHEMBL2755217 0.88 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL239877 0.87 NPC1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3253997 0.85 NPC1 (0.62) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL237892 0.83 RAB9A (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL238540 0.83 NPC1 (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL238625 0.83 NPC1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL235881 0.81 RAB9A (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL237735 0.80 KDM4E (0.38) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL234372 0.79 FYN (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL236731 0.79 RAB9A (0.39) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 KDM4E 2166/4885NPC1 1127/4885RAB9A 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.