SCHEMBL613585

SCHEMBL613585

NC(=O)c1cc(-c2ccncc2)sc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.71
CDC7 O00311 4/20 0.62
DBF4 Q9UBU7 1/20 0.62
JAK2 O60674 4/20 0.55
GAA P10253 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 3/20 0.54
ADORA1 P30542 2/20 0.50
MAPT P10636 4/20 0.49
GFER P55789 1/20 0.49
CHUK O15111 2/20 0.49
JAK3 P52333 3/20 0.47
IKBKE Q14164 1/20 0.46
PKMYT1 Q99640 1/20 0.46
CASP1 P29466 1/20 0.45
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL3507692 0.97 IKBKB (0.67) IKBKBCDC7DBF4JAK2GAA
SCHEMBL611912 0.87 GAA (0.73) IKBKBCDC7DBF4JAK2GAA
SCHEMBL3508553 0.86 IKBKB (0.54) IKBKBCDC7DBF4JAK2GAA
SCHEMBL4197079 0.83 CDC7 (0.58) IKBKBCDC7DBF4JAK2MEN1
SCHEMBL3510525 0.83 IKBKB (1.00) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL3507771 0.81 IKBKB (0.73) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL3508467 0.80 IKBKB (0.71) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL5898698 0.80 IKBKB (0.71) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL1428022 0.80 IKBKB (0.71) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL1428039 0.80 IKBKB (0.71) IKBKBJAK2GAAALDH1A1MEN1

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 993/4885CDC7 1/4885DBF4 593/4885

“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.