SCHEMBL5628595

SCHEMBL5628595

O=C(C1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.70
CCNA2 P20248 1/20 0.65
CDK2 P24941 1/20 0.65
CCNA1 P78396 1/20 0.65
LIMK1 P53667 1/20 0.60
EGFR P00533 5/20 0.59
FGFR1 P11362 1/20 0.57

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
SCHEMBL5632482 0.92 CCNA2 (0.67) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5628737 0.91 MKNK1 (0.69) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5629572 0.87 CCNA2 (0.62) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5628884 0.86 CCNA2 (0.73) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5631460 0.86 CCNA2 (0.75) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5629909 0.85 CCNA2 (0.70) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL5629958 0.84 MKNK1 (0.74) MKNK1LIMK1
SCHEMBL17308937 0.84 MKNK1 (0.69) MKNK1LIMK1
SCHEMBL17294601 0.83 MKNK1 (0.70) MKNK1LIMK1
SCHEMBL16751136 0.83 MKNK1 (0.68) MKNK1LIMK1

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 1477/4885CCNA2 9/4885CDK2 90/4885

“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.