SCHEMBL614632

SCHEMBL614632

COC(=O)c1sc(Br)cc1NCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.48
KMT2A Q03164 3/20 0.47
EGFR P00533 1/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
VNN1 O95497 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 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
SCHEMBL612303 0.85 MAPT (0.51) MAPTCYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL23452086 0.81 CA1 (0.49) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL612035 0.79 POLB (0.49) MAPTKDM4EALDH1A1KMT2AEGFR
SCHEMBL614635 0.78 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL1458749 0.75 RAF1 (0.46) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL613592 0.75 KDM4E (0.40) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL611970 0.71 MEN1 (0.55) MAPTCYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL612156 0.71 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2136869 0.71 KDM4E (0.46) MAPTCYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL613554 0.70 PPARG (0.36) MAPTKDM4EALDH1A1HSD17B10HPGD

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 MAPT 2979/4885CYP1A2 2085/4885CYP2C19 1215/4885

“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.