SCHEMBL238222

SCHEMBL238222

Cc1cc2ncc3cc(-c4cccnc4)c(=O)[nH]c3n2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
P4HTM Q9NXG6 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
FYN P06241 3/20 0.39
CYP2A6 P11509 2/20 0.39
PLAT P00750 1/20 0.38
AURKA O14965 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL236176 0.87 HTT (0.47) KMT2AKDM4EHPGDHSD17B10HTT
SCHEMBL236940 0.85 KDR (0.41) KMT2AKDM4EHPGDMAOBAURKA
SCHEMBL238746 0.83 PLAT (0.39) KMT2AHPGDFYNPLATAURKA
SCHEMBL236899 0.83 CHEK1 (0.51) KMT2AHPGDPLATAURKACDK5
SCHEMBL238239 0.82 BTK (0.38) KMT2AHPGDALDH1A1HTTFYN
SCHEMBL237778 0.82 POLB (0.47) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL238920 0.82 NPC1 (0.56) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL238752 0.82 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1MAOBFYN
SCHEMBL234726 0.81 PLAT (0.42) PLAT

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 KMT2A 1843/4885P4HTM 3654/4885KDM4E 2166/4885

“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.