SCHEMBL239038

SCHEMBL239038

Cc1cc2ncc3cc(-c4ccsc4)c(Cl)nc3n2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2A6 P11509 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FYN P06241 2/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
BTK Q06187 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 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
SCHEMBL238211 0.88 CYP11B1 (0.35) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL239636 0.86 DRD2 (0.36) RAB9ANPC1SMN1; SMN2TP53CYP2A6
SCHEMBL238454 0.84 HTT (0.49) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL235881 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL238571 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL236385 0.81 DYRK3 (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL234727 0.81 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL237892 0.81 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL238540 0.81 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HPGDFYN
SCHEMBL238620 0.80 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1

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 RAB9A 778/4885NPC1 1127/4885SMN1; SMN2 3442/4885

“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.