SCHEMBL239031

SCHEMBL239031

Cc1cc2ncc3cc(-c4cccc(Cl)c4)c(Cl)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL238620 0.91 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL235881 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL238551 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL236118 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL238571 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL237487 0.86 RXFP1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL240488 0.85 KMT2A (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL236385 0.85 DYRK3 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL238454 0.83 HTT (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL238654 0.82 MAOB (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 5 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
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 NPC1 1127/4885RAB9A 778/4885SMN1; 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.