SCHEMBL4068341

SCHEMBL4068341

COc1ccc(F)cc1-c1cc2ncnc(N(CC3=COCO3)Cc3ccccc3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 3/20 0.40
FDPS P14324 1/20 0.36
EGFR P00533 7/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LRRK2 Q5S007 2/20 0.33
ERBB2 P04626 3/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 2/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL3927058 0.91 STK17B (0.40) STK17BEGFRHSD17B1HSD17B2LMNA
SCHEMBL4073218 0.89 STK17B (0.36) STK17BKIT
SCHEMBL3931349 0.89 STK17B (0.47) STK17BEGFRKIT
SCHEMBL3927276 0.88 STK17B (0.37) STK17BEGFRHSD17B1HSD17B2
SCHEMBL3937343 0.85 STK17B (0.44) STK17BMAPTLMNAKIT
SCHEMBL4068418 0.85 KIT (0.43) STK17BEGFRKIT
SCHEMBL3928357 0.85 EGFR (0.44) STK17BEGFRMAPTLMNATSHR
SCHEMBL3933687 0.83 STK17B (0.44) STK17BEGFRERBB2KIT
SCHEMBL4069670 0.83 KIT (0.36) STK17BEGFRKIT
SCHEMBL4071293 0.83 LMNA (0.33) STK17BEGFRMAPTLMNACYP1A2

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
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
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 STK17B 1911/4885FDPS 1357/4885EGFR 875/4885

“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.