SCHEMBL240488

SCHEMBL240488

Cc1cc2ncc3cc(-c4cccc(C#N)c4)c(Cl)nc3n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRA2 P47869 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CG P48736 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37

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
SCHEMBL237538 0.88 NPC1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL238620 0.85 NPC1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL239031 0.85 NPC1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL235881 0.84 RAB9A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL238551 0.84 NPC1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL236118 0.84 NPC1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL237487 0.82 RXFP1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL238236 0.81 GABRA1 (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL236385 0.80 DYRK3 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL238571 0.79 NPC1 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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.