SCHEMBL237603

SCHEMBL237603

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(N5CCOC5=O)cc4)nc3n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAP4K1 Q92918 1/20 0.37
AKT1 P31749 5/20 0.36
AKT2 P31751 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
DGAT1 O75907 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PKM P14618 1/20 0.34
BCL2 P10415 2/20 0.33
EGLN2 Q96KS0 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
SCHEMBL238464 0.82 GAA (0.42) TNKSCCNCCDK8MAP4K1AKT1
SCHEMBL235451 0.81 NPC1 (0.46) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL16986811 0.80 AKT1 (0.40) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL235955 0.78 AURKA (0.41) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL238553 0.78 ACVR1 (0.45) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL238251 0.77 AKT1 (0.47) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL16986799 0.76 AKT1 (0.44) AKT1AKT2HPGDKDM4E
SCHEMBL234236 0.76 NPC1 (0.41) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL238314 0.76 CYP2C9 (0.44) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL238695 0.76 AKT1 (0.37) AKT1AKT2NPC1RAB9ASMN1; 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 9 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 claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
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 TNKS 578/4885CCNC 285/4885CDK8 177/4885

“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.