SCHEMBL4068345

SCHEMBL4068345

COc1ccc(CNc2ncnc3cc(-c4cccc(NC(C)=O)c4)sc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.57
NPR1 P16066 1/20 0.51
MAP3K8 P41279 3/20 0.50
RAD52 P43351 1/20 0.50
EGFR P00533 4/20 0.48
POLB P06746 1/20 0.46
NR2F2 P24468 1/20 0.46
FYN P06241 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44

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
SCHEMBL4072924 0.86 CLK4 (0.57) EGFRPOLBNR2F2KMT2AMEN1
SCHEMBL4065080 0.86 CYP1A2 (0.55) EGFRPOLBNR2F2KMT2AMEN1
SCHEMBL3932470 0.86 EGFR (0.59) MAP3K8EGFRPOLBNR2F2KMT2A
SCHEMBL4071070 0.84 EGFR (0.50) MAP3K8EGFRPOLBNR2F2KMT2A
SCHEMBL4066517 0.84 CLK4 (0.52) MAP3K8EGFRPOLBNR2F2KMT2A
SCHEMBL3937335 0.83 BRAF (0.56) STK17BNPR1AURKARPS6KB1BRAF
SCHEMBL3937824 0.82 STK17B (0.58) STK17BNPR1MAP3K8RAD52EGFR
SCHEMBL4067913 0.81 MAP3K8 (0.52) MAP3K8EGFRPOLBNR2F2KMT2A
SCHEMBL4069276 0.80 TYK2 (0.62) MAP3K8EGFRPOLBNR2F2KMT2A
SCHEMBL4074284 0.75 CYP1A2 (0.58) EGFRKMT2AMEN1KDM4EALDH1A1

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
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 STK17B 1911/4885NPR1 1200/4885MAP3K8 1493/4885

“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.