SCHEMBL611981

SCHEMBL611981

NC(=O)c1sc(Br)cc1NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RPS6KB1 P23443 2/20 0.53
AKT1 P31749 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
RECQL P46063 1/20 0.50
AURKA O14965 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK8 P45983 1/20 0.46
CCNE1 P24864 2/20 0.44
CDK2 P24941 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
SCHEMBL614635 0.86 KDM4E (0.50) KDM4EALDH1A1GAASMN1; SMN2RECQL
SCHEMBL611765 0.85 CDC7 (0.50) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3714861 0.78 MAPT (0.64) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL612303 0.77 MAPT (0.51) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL613467 0.75 RAB9A (0.57) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL913752 0.74 CDK5 (0.62) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3051517 0.73 HPGD (0.57) ALDH1A1GAAHPGDTSHR
SCHEMBL3714863 0.73 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL31204910 0.73 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL15358497 0.71 RECQL (0.54) KDM4EALDH1A1GAAMAPTSMN1; SMN2

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 KDM4E 1319/4885ALDH1A1 1927/4885GAA 3122/4885

“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.