SCHEMBL235359

SCHEMBL235359

Cc1cc2ncc(C=O)c(N)n2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.45
KDR P35968 1/20 0.43
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.38
AURKA O14965 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
DPP4 P27487 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
SCHEMBL235994 0.83 POLB (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL237810 0.81 PKM (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2755216 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3253086 0.78 PKM (0.32) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL236593 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL237409 0.77 PKM (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL237815 0.76 FYN (0.35) NPC1RAB9ASMN1; SMN2POLBPKM
SCHEMBL240099 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL239684 0.75 NPC1 (0.34) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL239685 0.75 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 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.