SCHEMBL614197

SCHEMBL614197

NC(=O)c1sc(Br)cc1NCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.41
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MELK Q14680 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRAF P15056 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RECQL P46063 1/20 0.34
CHEK1 O14757 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL613309 0.82 IKBKB (0.40) IKBKBGSK3BKDM4EKMT2AALDH1A1
SCHEMBL614698 0.78 GSK3B (0.36) IKBKBGSK3B
SCHEMBL612154 0.76 IKBKB (0.53) IKBKBGSK3BKDM4EGLAALDH1A1
SCHEMBL490588 0.76 IKBKB (0.57) IKBKBGSK3BKMT2ACHEK1
SCHEMBL20572261 0.75 IKBKB (0.47) IKBKBGSK3BKDM4E
SCHEMBL611765 0.74 CDC7 (0.50) GSK3BKDM4EKMT2AALDH1A1
SCHEMBL16246374 0.71 GSK3B (0.42) IKBKBGSK3BKMT2AALDH1A1
SCHEMBL612303 0.71 MAPT (0.51) KDM4EGLAKMT2AALDH1A1
SCHEMBL614072 0.70 PTGS2 (0.44) KDM4EGLAKMT2AALDH1A1
SCHEMBL6194644 0.70 IKBKB (0.50) IKBKBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK IKBKB 993/4885GSK3B 656/4885KDM4E 1319/4885

“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.