SCHEMBL1016149

SCHEMBL1016149

O=C(/C=C/CN1CCCCC1)N1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.65
ERBB2 P04626 1/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
SRC P12931 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
MKNK1 Q9BUB5 3/20 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
SCHEMBL1016152 1.00 EGFR (0.65) EGFRERBB2PDGFRBKITSRC
SCHEMBL1016944 0.99 EGFR (0.66) EGFRERBB2PDGFRBKITSRC
SCHEMBL1016942 0.99 EGFR (0.66) EGFRERBB2PDGFRBKITSRC
SCHEMBL1016842 0.93 EGFR (0.71) EGFRERBB2MKNK1
SCHEMBL1016841 0.93 EGFR (0.71) EGFRERBB2MKNK1
SCHEMBL18355001 0.91 EGFR (0.62) EGFRMKNK1
SCHEMBL12955496 0.90 EGFR (0.66) EGFRMKNK1
SCHEMBL12955268 0.90 EGFR (0.75) EGFRMKNK1
SCHEMBL1016402 0.89 EGFR (0.62) EGFRERBB2MKNK1
SCHEMBL1016403 0.89 EGFR (0.62) EGFRERBB2MKNK1

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-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 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-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT EGFR 2580/4885ERBB2 1267/4885PDGFRB 2260/4885

“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.