SCHEMBL4064454

SCHEMBL4064454

COc1ccc(-c2cc3ncnc(NCc4ccc5c(c4)OCO5)c3s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.65
CLK4 Q9HAZ1 6/20 0.63
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
USP2 O75604 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL3930202 0.92 CLK4 (0.70) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL4066624 0.89 PDE5A (0.63) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL4066690 0.89 PDE5A (0.56) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL4064208 0.87 PDE5A (0.63) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL4068415 0.87 PDE5A (0.57) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL3927280 0.87 PDE5A (0.63) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL4069657 0.87 PDE5A (0.61) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL5473149 0.87 PDE5A (0.63) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL5475182 0.87 PDE5A (0.59) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL3936365 0.87 PDE5A (0.58) PDE5ACLK4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US claimed
EP-2014663-A1 Thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2009-01-14 EP claimed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
WO-2009007422-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
EP-2014663-A1 Thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2009-01-14 EP disclosed
EP-2014663-A1 Thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2009-01-14 EP 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-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PDE5A 1018/4885CLK4 4484/4885MEN1 2686/4885

“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.