SCHEMBL613989

SCHEMBL613989

CCCNc1cnccc1-c1ccc(C(=O)OC)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.49
KDM4C Q9H3R0 2/20 0.49
IL2 P60568 1/20 0.45
ECE1 P42892 1/20 0.40
MUS81 Q96NY9 1/20 0.40
LIMK1 P53667 9/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NCOA1 Q15788 2/20 0.36
NCOA3 Q9Y6Q9 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1724875 0.93 KDM4C (0.51) KDM6BKDM4CIL2LIMK1NPSR1
SCHEMBL1725706 0.90 IL2 (0.47) KDM6BKDM4CIL2LIMK1NPSR1
SCHEMBL1724418 0.90 KDM4C (0.58) KDM6BKDM4CIL2ECE1MUS81
SCHEMBL614603 0.84 IL2 (0.49) KDM4CIL2NPSR1HPGDTSHR
SCHEMBL1726624 0.83 KDM4C (0.60) KDM6BKDM4CIL2ECE1MUS81
SCHEMBL612008 0.83 KDM4C (0.51) KDM6BKDM4CIL2MKNK1MKNK2
SCHEMBL1724787 0.81 IL2 (0.47) KDM4CIL2NPSR1HPGDTSHR
SCHEMBL1725204 0.80 MKNK1 (0.49) KDM6BKDM4CIL2HPGDMKNK1
SCHEMBL613187 0.77 ALDH1A1 (0.54) KDM6BKDM4CIL2NPSR1HPGD
SCHEMBL29165231 0.77 IL2 (0.47) IL2NPSR1HPGDTSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM6B 673/4885KDM4C 1474/4885IL2 3955/4885

“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.