SCHEMBL613467

SCHEMBL613467

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
ATM Q13315 1/20 0.57
MAPT P10636 7/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDO2 P48775 2/20 0.50
IDO1 P14902 1/20 0.50
MITF O75030 1/20 0.49
PKM P14618 1/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
POLB P06746 2/20 0.47
ACKR3 P25106 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL611970 0.88 MEN1 (0.55) RAB9ANPC1ATMMAPTMEN1
SCHEMBL27847513 0.76 MAPT (0.69) RAB9ANPC1ATMMAPTMEN1
SCHEMBL611765 0.74 CDC7 (0.50) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL2475219 0.74 RAB9A (0.56) RAB9ANPC1ATMMAPTMEN1
SCHEMBL6154644 0.73 MAPT (0.57) RAB9ANPC1ATMMAPTMEN1
SCHEMBL4201585 0.73 MAPT (0.85) RAB9ANPC1ATMMAPTMEN1
SCHEMBL4808309 0.72 PTPN1 (0.61) RAB9ANPC1ATMMAPTMEN1
SCHEMBL27942225 0.72 RAB9A (0.54) RAB9ANPC1ATMMAPTMEN1
SCHEMBL29834915 0.70 EGFR (0.52) RAB9ANPC1ATMMAPTMEN1
SCHEMBL4208063 0.70 MAPT (0.77) RAB9ANPC1ATMMAPTMEN1

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 RAB9A 2890/4885NPC1 2455/4885ATM 434/4885

“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.