SCHEMBL239135

SCHEMBL239135

O=c1[nH]c2cnc3ccnn3c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
DGAT1 O75907 4/20 0.35
TYRO3 Q06418 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MKNK1 Q9BUB5 1/20 0.32
PRKD3 O94806 2/20 0.31
MAP4K4 O95819 2/20 0.31
RET P07949 2/20 0.31
PIM1 P11309 2/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
RPS6KA3 P51812 2/20 0.31
CDK5 Q00535 2/20 0.31
MAP4K2 Q12851 2/20 0.31
AURKB Q96GD4 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL1720850 0.72 PDE3B (0.38) KDRDGAT1PDE3BPDE3A
SCHEMBL31593702 0.68 GABRP (0.41) KDRPIM1AURKA
SCHEMBL239290 0.67 KDR (0.39) KDRDGAT1CHEK1LYNBTK
SCHEMBL10287773 0.67 PLAT (0.39) PDE3AFYN
SCHEMBL1074481 0.66 DGAT1 (0.36) KDRDGAT1MKNK1CDK2DYRK1A
SCHEMBL2706434 0.66 DGAT1 (0.36) KDRDGAT1DYRK1BMKNK1CDK5
Hydrochloric Acid SCHEMBL6207073 0.64 DGAT1 (0.36) KDRDGAT1DYRK1BMKNK1CDK5
SCHEMBL867071 0.62 KDR (0.35) KDRDGAT1ABL1
SCHEMBL25273694 0.61 KDR (0.41) KDRDGAT1MKNK1PDGFRB
SCHEMBL1074480 0.61 DGAT1 (0.36) KDRDGAT1MKNK1DYRK1A

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 2067/4885DGAT1 2268/4885TYRO3 2234/4885

“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.