SCHEMBL5629237

SCHEMBL5629237

COCCN(C)CCC1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.54
ERBB2 P04626 15/20 0.50
KCNH2 Q12809 5/20 0.48
MKNK1 Q9BUB5 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL5630442 0.92 EGFR (0.59) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5628581 0.89 ERBB2 (0.53) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5629724 0.89 EGFR (0.55) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5629408 0.89 EGFR (0.58) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5628958 0.88 ERBB2 (0.52) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5630761 0.87 EGFR (0.56) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5628943 0.87 EGFR (0.56) EGFRERBB2MKNK1CCNA2CDK2
SCHEMBL5630687 0.87 EGFR (0.54) EGFRERBB2KCNH2CCNA2CDK2
SCHEMBL5631285 0.87 EGFR (0.65) EGFRERBB2CCNA2CDK2CCNA1
SCHEMBL5629308 0.87 EGFR (0.55) EGFRERBB2KCNH2CCNA2CDK2

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 EGFR 1499/4885ERBB2 692/4885KCNH2 4311/4885

“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.