SCHEMBL613787

SCHEMBL613787

CNc1c(C(N)=O)sc(Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.46
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDR P35968 6/20 0.35
CSNK2A1 P68400 5/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
GPR35 Q9HC97 1/20 0.33
PRKACA P17612 3/20 0.33
CDC7 O00311 2/20 0.33
PLK4 O00444 2/20 0.33
DYRK3 O43781 2/20 0.33
ROCK2 O75116 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
INSR P06213 2/20 0.33
CDK1 P06493 2/20 0.33
ROS1 P08922 2/20 0.33
PIM1 P11309 2/20 0.33

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
SCHEMBL613619 0.80 MAPT (0.41) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL16172596 0.72 GPR35 (0.46) LIMK1GAAALDH1A1HSD17B10KDR
SCHEMBL19000219 0.68 KDM4E (0.48) LIMK1ALDH1A1KDRCSNK2A1CSNK2A2
SCHEMBL3116158 0.68 ALDH1A1 (0.44) GAAALDH1A1HSD17B10GPR35HPGD
SCHEMBL3912819 0.65 PTPN1 (0.54) GAAALDH1A1HSD17B10HPGDALOX15
SCHEMBL612154 0.63 IKBKB (0.53) LIMK1GAAALDH1A1PRKACAGSK3B
SCHEMBL14191233 0.63 CYP1A2 (0.34) LIMK1GAAALDH1A1HSD17B10HPGD
SCHEMBL14485231 0.63 ALDH1A1 (0.47) GAAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL26626874 0.63 GPR35 (0.48) ALDH1A1GPR35HPGDKDM4EMAPT
SCHEMBL24595746 0.63 IKBKB (0.67) LIMK1ALDH1A1PRKACAIKBKBCHUK

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 LIMK1 1710/4885GAA 3122/4885ALDH1A1 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.