SCHEMBL612154

SCHEMBL612154

CNc1cc(Br)sc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.53
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
LIMK1 P53667 2/20 0.39
GSK3B P49841 1/20 0.38
ACHE P22303 1/20 0.36
NNMT P40261 2/20 0.34
CHUK O15111 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
BTK Q06187 1/20 0.34
MAP2K3 P46734 1/20 0.33
MAPK14 Q16539 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
SCHEMBL15960099 0.83 GSK3B (0.39) IKBKBKDM4EALDH1A1GAAGSK3B
SCHEMBL612156 0.81 MAPT (0.42) KDM4EALDH1A1GSK3BACHEMAPK14
SCHEMBL490588 0.81 IKBKB (0.57) IKBKBGSK3B
SCHEMBL613309 0.81 IKBKB (0.40) IKBKBKDM4EALDH1A1GAAGSK3B
SCHEMBL20572261 0.80 IKBKB (0.47) IKBKBKDM4EGSK3BBTK
SCHEMBL16246374 0.76 GSK3B (0.42) IKBKBALDH1A1GAALIMK1GSK3B
SCHEMBL15962456 0.76 ALOX15 (0.47) KDM4EALDH1A1GLAGAAGSK3B
SCHEMBL614197 0.76 IKBKB (0.41) IKBKBKDM4EALDH1A1GLAGSK3B
SCHEMBL6194644 0.75 IKBKB (0.50) IKBKBALDH1A1CHUKBTK
SCHEMBL3610995 0.75 LCK (0.41) IKBKB

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 993/4885KDM4E 1319/4885ALDH1A1 1927/4885

“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.