SCHEMBL1384007

SCHEMBL1384007

CC1CCc2c(sc3ncnc(Nc4cccc(C(F)(F)F)c4)c23)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.67
CDK2 P24941 1/20 0.67
CCNA1 P78396 1/20 0.67
FGFR1 P11362 1/20 0.63
MKNK1 Q9BUB5 7/20 0.55
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
RAF1 P04049 1/20 0.54
EGFR P00533 2/20 0.53
THRB P10828 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LIMK1 P53667 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50

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
SCHEMBL4040366 0.85 MKNK1 (0.74) FGFR1MKNK1MAPTMAPK1HTT
SCHEMBL14459745 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL1385649 0.81 CCNA2 (0.71) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL20259287 0.78 MKNK1 (0.74) MKNK1
SCHEMBL17308882 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL5629718 0.77 MAPT (0.72) CCNA2CDK2CCNA1FGFR1MKNK1
Hydrochloric Acid SCHEMBL5773546 0.76 MAPT (0.71) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL17850660 0.76 CCNA2 (0.64) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL16756040 0.76 CCNA2 (0.64) CCNA2CDK2CCNA1FGFR1MKNK1
SCHEMBL16770180 0.76 CCNA2 (0.64) CCNA2CDK2CCNA1FGFR1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712702-B2 2011-06-29 JP claimed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US claimed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US claimed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP claimed
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 EP claimed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO claimed
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
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 EP disclosed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO 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 CCNA2 9/4885CDK2 90/4885CCNA1 6/4885

“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.