SCHEMBL614603

SCHEMBL614603

CNc1cnccc1-c1ccc(C(=O)OC)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.49
KDM4C Q9H3R0 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NCOA1 Q15788 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL1724808 0.89 KDM4C (0.53) IL2KDM4CMKNK1MKNK2CYP3A4
SCHEMBL1724787 0.86 IL2 (0.47) IL2KDM4CMKNK1MKNK2NCOA1
SCHEMBL1725706 0.86 IL2 (0.47) IL2KDM4CMKNK1MKNK2NCOA1
SCHEMBL613989 0.84 KDM6B (0.49) IL2KDM4CMKNK1MKNK2NCOA1
SCHEMBL29165231 0.82 IL2 (0.47) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL613187 0.82 ALDH1A1 (0.54) IL2KDM4CMKNK1MKNK2NCOA1
SCHEMBL1724875 0.82 KDM4C (0.51) IL2KDM4CMKNK1MKNK2NCOA1
SCHEMBL612008 0.81 KDM4C (0.51) IL2KDM4CMKNK1MKNK2CYP3A4
SCHEMBL5238765 0.75 HDAC3 (0.66) MKNK1MKNK2NCOA1NCOA3NPSR1
SCHEMBL1725204 0.75 MKNK1 (0.49) IL2KDM4CMKNK1MKNK2CYP3A4

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 IL2 3955/4885KDM4C 1474/4885MKNK1 282/4885

“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.