SCHEMBL611638

SCHEMBL611638

NC(=O)c1sc(-c2cn[nH]c2)c(Br)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.36
▸ LIMK1 P53667 9/20 0.35
▸ IKBKB O14920 6/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ PRKACA P17612 2/20 0.34
▸ EEF2K O00418 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
Hydrochloric Acid SCHEMBL613716 0.80 CDC7 (0.40) CDC7CDK2ROCK1CCNE1DBF4
SCHEMBL23485549 0.68 GPR35 (0.32) GPR35IKBKETBK1
SCHEMBL29859798 0.68 IKBKE (0.48) GPR35PLK1IKBKETBK1
SCHEMBL15323302 0.66 BCAT2 (0.57) ROCK1GPR35ROCK2AURKAAURKB
SCHEMBL15576072 0.64 IKBKB (0.53) IKBKBROCK2INSRPLK1NPC1
Hydrochloric Acid SCHEMBL612294 0.63 IKBKB (0.56) CDC7CDK2ROCK1CCNE1DBF4
SCHEMBL27816571 0.62 IKBKB (0.41) CDC7CDK2ROCK1GPR35LIMK1
SCHEMBL3721500 0.62 PLK1 (0.52) ROCK1ROCK2MAP4K4PLK1
SCHEMBL2728413 0.60 HTR2B (0.48) GPR35IKBKETBK1
SCHEMBL16638963 0.60 DYRK1A (0.42) CDC7CDK2ROCK1CCNE1DBF4

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 CDC7 1/4885CDK2 41/4885ROCK1 2609/4885

“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.

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