SCHEMBL239290

SCHEMBL239290

O=c1[nH]c2c(cnc3ccnn32)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
PLAT P00750 3/20 0.37
DGAT1 O75907 3/20 0.36
CHEK1 O14757 1/20 0.36
LYN P07948 3/20 0.35
BTK Q06187 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TNKS O95271 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2755265 0.81 PIM1 (0.42) KDRPLATCHEK1BTKKDM4E
SCHEMBL237769 0.80 AURKA (0.46) KDRKDM4EHPGDHSD17B10NPC1
SCHEMBL240253 0.80 NPC1 (0.47) KDRKDM4EHPGDHSD17B10NPC1
SCHEMBL237826 0.78 MET (0.38) KDRPLATCHEK1LYNBTK
SCHEMBL3255083 0.78 KDM4E (0.48) KDRKDM4EHPGDHSD17B10NPC1
SCHEMBL239574 0.78 RAB9A (0.39) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL236540 0.77 AURKA (0.38) KDRLYNKDM4EHPGDHSD17B10
SCHEMBL237744 0.76 PLAT (0.40) KDRPLATKDM4EHPGDHSD17B10
SCHEMBL2755211 0.76 NPC1 (0.49) KDRKDM4EHPGDHSD17B10NPC1
SCHEMBL238085 0.76 KDM4E (0.46) KDRPLATKDM4EHPGDHSD17B10

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 KDR 2067/4885PLAT 1906/4885DGAT1 2268/4885

“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.