SCHEMBL614072

SCHEMBL614072

NC(=O)c1sc(Br)cc1NCC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
KDM1A O60341 1/20 0.36
POLB P06746 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL613309 0.71 IKBKB (0.40) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL614698 0.71 GSK3B (0.36)
SCHEMBL614197 0.70 IKBKB (0.41) ALDH1A1KDM4EKMT2AGLA
SCHEMBL10265728 0.70 PTGS2 (0.45) PTGS2ACHEALDH1A1HTTKDM4E
SCHEMBL10265406 0.70 RAF1 (0.47) PTGS2
SCHEMBL10265436 0.69 PTGS2 (0.45) PTGS2ACHEALDH1A1HTTKDM4E
SCHEMBL10265386 0.68 PTGS2 (0.44) PTGS2ACHEALDH1A1HTTKDM4E
SCHEMBL319096 0.68 PTGS2 (0.43) PTGS2ACHEALDH1A1HTTKDM4E
SCHEMBL320070 0.68 MAPT (0.54) PTGS2ALDH1A1HTTKDM4EPOLB
SCHEMBL10265709 0.67 PTGS2 (0.43) PTGS2ACHEALDH1A1HTTKDM4E

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 PTGS2 4018/4885ACHE 4169/4885ALDH1A1 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.