SCHEMBL611970

SCHEMBL611970

COC(=O)c1sc(Br)cc1NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
MAPT P10636 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 3/20 0.55
CRHBP P24387 4/20 0.51
CRHR2 Q13324 4/20 0.51
POLB P06746 2/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL613467 0.88 RAB9A (0.57) MEN1MAPTKMT2AALDH1A1CRHBP
SCHEMBL23452086 0.83 CA1 (0.49) MEN1MAPTKMT2AALDH1A1CRHBP
SCHEMBL1458749 0.77 RAF1 (0.46) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL614635 0.77 KDM4E (0.50) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL612035 0.76 POLB (0.49) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL612156 0.72 MAPT (0.42) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL614632 0.71 MAPT (0.52) MEN1MAPTKMT2AALDH1A1IDO1
SCHEMBL4201585 0.70 MAPT (0.85) MEN1MAPTKMT2AALDH1A1CRHBP
SCHEMBL29118511 0.70 MAPT (0.70) MEN1MAPTKMT2AALDH1A1CRHBP
SCHEMBL4180845 0.70 ALDH1A1 (0.42) MEN1MAPTKMT2AALDH1A1KDM4E

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 MEN1 1074/4885MAPT 2979/4885KMT2A 1565/4885

“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.