SCHEMBL236176

SCHEMBL236176

Cc1cc2ncc3cc(-c4ccncc4)c(=O)[nH]c3n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE3B Q13370 8/20 0.39
PDE3A Q14432 8/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE5A O76074 1/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL237769 0.89 AURKA (0.46) HTTHPGDMEN1KMT2ANPC1
SCHEMBL238222 0.87 KMT2A (0.43) HTTHPGDKMT2AKDM4EHSD17B10
SCHEMBL238920 0.87 NPC1 (0.56) HPGDMEN1KMT2ANPC1TP53
SCHEMBL237778 0.87 POLB (0.47) HPGDMEN1KMT2ANPC1TP53
SCHEMBL238993 0.85 HPGD (0.42) HPGDMEN1KMT2ANPC1TP53
SCHEMBL238239 0.85 BTK (0.38) HTTHPGDMEN1KMT2ANPC1
SCHEMBL238712 0.84 HPGD (0.40) HPGDMEN1KMT2ANPC1TP53
SCHEMBL240253 0.84 NPC1 (0.47) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL236940 0.84 KDR (0.41) HPGDMEN1KMT2ANPC1TP53
SCHEMBL236899 0.82 CHEK1 (0.51) HPGDMEN1KMT2ANPC1TP53

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
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

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 HTT 3148/4885HPGD 3459/4885MEN1 1044/4885

“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.