SCHEMBL237635

SCHEMBL237635

O=c1[nH]nc2c3ncccc3ccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
LTK P29376 2/20 0.44
ALK Q9UM73 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MST1R Q04912 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
ABL1 P00519 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2119422 0.76 LTK (0.51) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL18229915 0.75 PDE3B (0.49) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL4496736 0.72 LTK (0.48) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL12145154 0.68 ADORA2A (0.44) KDM4ECYP3A4MMP2TSHRALOX15
SCHEMBL4859283 0.67 TSHR (0.47) KDM4ECYP3A4MMP2TSHRALOX15
SCHEMBL1855620 0.66 LTK (0.60) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL1369794 0.66 LMNA (0.50) KDM4ECYP3A4MMP2TSHRALOX15
SCHEMBL3479430 0.66 LTK (0.41) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL17796160 0.65 PDE3B (0.51) PDE3BPDE3ALTKALKDYRK1B
SCHEMBL20975432 0.65 KDM4E (0.48) KDM4ECYP3A4MMP2TSHRALOX15

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 4 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
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-2406250-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-01-18 EP 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 PDE3B 1091/4885PDE3A 1748/4885LTK 1119/4885

“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.