SCHEMBL236940

SCHEMBL236940

Cc1cccc(-c2cc3cnc4cc(C)nn4c3[nH]c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
AURKA O14965 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LYN P07948 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYMP P19971 1/20 0.36
MAOB P27338 1/20 0.36
XDH P47989 1/20 0.36
ADORA1 P30542 1/20 0.35

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 0.90 AURKA (0.46) KDRAURKANPC1RAB9AKDM4E
SCHEMBL236899 0.89 CHEK1 (0.51) AURKANPC1RAB9ACHEK1MEN1
SCHEMBL238746 0.89 PLAT (0.39) AURKANPC1RAB9ACHEK1MEN1
SCHEMBL238752 0.87 ALDH1A1 (0.45) KDM4ELMNAMAOB
SCHEMBL234726 0.86 PLAT (0.42) TYMPXDH
SCHEMBL238222 0.85 KMT2A (0.43) AURKAKDM4EHPGDKMT2AMAOB
SCHEMBL236176 0.84 HTT (0.47) AURKANPC1RAB9AKDM4ELMNA
SCHEMBL238920 0.83 NPC1 (0.56) KDRNPC1RAB9AKDM4ELMNA
SCHEMBL237778 0.83 POLB (0.47) KDRAURKANPC1RAB9AKDM4E
SCHEMBL238115 0.81 PKM (0.38) AURKANPC1RAB9ALYNMEN1

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 KDR 2067/4885AURKA 470/4885NPC1 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.