SCHEMBL5628808

SCHEMBL5628808

CN(C)[C@@H]1CCN(C(=O)CC2CCc3c(sc4ncnc(Nc5cccc(Br)c5)c34)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 0.59
EGFR P00533 2/20 0.51
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
SRC P12931 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL5628677 0.91 EGFR (0.53) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5628778 0.88 MKNK1 (0.74) MKNK1
SCHEMBL5628694 0.88 EGFR (0.59) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5629945 0.88 MKNK1 (0.56) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5631317 0.87 EGFR (0.58) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5630857 0.86 EGFR (0.54) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5631039 0.86 MKNK1 (0.57) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5631454 0.85 EGFR (0.54) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5629091 0.84 EGFR (0.50) MKNK1EGFRPDGFRBKITSRC
SCHEMBL5628916 0.83 EGFR (0.62) MKNK1EGFRPDGFRBKITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US disclosed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 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-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC MKNK1 1477/4885EGFR 1499/4885PDGFRB 1930/4885

“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.