SCHEMBL235500

SCHEMBL235500

Cc1cc2ncc3cc(-c4ccccc4O)c(Cl)nc3n2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.38
FYN P06241 1/20 0.38
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
AURKA O14965 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KDR P35968 1/20 0.34
HTT P42858 1/20 0.33
PDE4B Q07343 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
SCHEMBL238671 0.88 NPC1 (0.41) KMT2AMEN1NPC1TP53HPGD
SCHEMBL238754 0.88 NPC1 (0.41) KMT2AMEN1NPC1TP53HPGD
SCHEMBL239018 0.86 NPC1 (0.40) KMT2AMEN1NPC1TP53HPGD
SCHEMBL236382 0.86 FYN (0.38) KMT2AMEN1NPC1TP53HPGD
SCHEMBL235881 0.84 RAB9A (0.48) KMT2AMEN1NPC1TP53HPGD
SCHEMBL239054 0.84 TSHR (0.45) KMT2AMEN1NPC1TP53HPGD
SCHEMBL240395 0.83 HSD11B1 (0.41) KMT2AMEN1NPC1TP53HPGD
SCHEMBL238236 0.83 GABRA1 (0.42) KMT2AMEN1NPC1TP53HPGD
SCHEMBL234727 0.82 NPC1 (0.49) KMT2AMEN1NPC1TP53HPGD
SCHEMBL238176 0.82 MAOB (0.40) KMT2AMEN1NPC1TP53HPGD

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 KMT2A 1843/4885MEN1 1044/4885NPC1 1127/4885

“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.