SCHEMBL2735403

SCHEMBL2735403

CCOC(=O)COc1ccc2nc(C)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
P2RY12 Q9H244 2/20 0.62
GAA P10253 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP2C9 P11712 1/20 0.51
NTSR1 P30989 1/20 0.51
MAPK1 P28482 4/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2735404 0.87 PDE3B (0.60) PDE3BPDE3AP2RY12GAAKDM4E
Hydrochloric Acid SCHEMBL215883 0.86 PDE3B (0.58) PDE3BPDE3AP2RY12GAAKDM4E
SCHEMBL10268151 0.84 PDE3B (0.59) PDE3BPDE3AP2RY12GAAKDM4E
SCHEMBL12909170 0.83 ALDH1A1 (0.62) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL14816222 0.78 PDE3B (0.64) PDE3BPDE3AP2RY12GAAKDM4E
SCHEMBL17702655 0.77 LMNA (0.52) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL16307904 0.76 PDE3B (0.53) PDE3BPDE3AP2RY12KDM4EHSD17B10
SCHEMBL17186094 0.76 KDM4E (0.61) PDE3BPDE3AP2RY12GAAKDM4E
SCHEMBL15902172 0.76 PDE3B (0.55) PDE3BPDE3AP2RY12GAAKDM4E
SCHEMBL20765818 0.75 ROCK2 (0.49) GAAKDM4EALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 PDE3B 1167/4885PDE3A 1390/4885P2RY12 797/4885

“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.