SCHEMBL4071128

SCHEMBL4071128

COc1ccccc1CNc1ncnc2cc(-c3ccccc3)sc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.62
MAPK1 P28482 10/20 0.60
CYP1A2 P05177 12/20 0.59
CYP3A4 P08684 12/20 0.59
CYP2D6 P10635 12/20 0.59
LMNA P02545 11/20 0.59
CYP2C19 P33261 11/20 0.59
ALDH1A1 P00352 9/20 0.59
TSHR P16473 9/20 0.59
HSD17B10 Q99714 8/20 0.59
CYP2C9 P11712 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 3/20 0.59
ALOX15 P16050 2/20 0.59
THRB P10828 1/20 0.59
USP2 O75604 8/20 0.56
HIF1A Q16665 8/20 0.56
CLK4 Q9HAZ1 8/20 0.56
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL4069915 0.85 EGFR (0.72) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL3932470 0.82 EGFR (0.59) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13960275 0.82 EGFR (0.62) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL24466944 0.81 EGFR (0.72) EGFRALDH1A1HPGDKDM4EFLT1
SCHEMBL5380842 0.80 CYP1A2 (0.59) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL4066184 0.78 FLT1 (0.56) EGFRALDH1A1KDM4EFLT1TUBB4A
SCHEMBL4071062 0.78 TYK2 (0.62) EGFRLMNAFLT1MAPTMEN1
SCHEMBL3936767 0.78 NPR1 (0.61) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL28401452 0.77 EGFR (0.46) EGFRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7126923 0.77 EGFR (0.73) EGFRMAPK1CYP1A2CYP3A4CYP2D6

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
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
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 EGFR 875/4885MAPK1 1719/4885CYP1A2 137/4885

“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.