SCHEMBL1713646

SCHEMBL1713646

O=C1NC(=S)NC1=Cc1c[nH]c2ncc(Nc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
IDH1 O75874 3/20 0.42
TOP1 P11387 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CLK1 P49759 1/20 0.38

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
SCHEMBL1713644 1.00 KMT2A (0.44) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1713692 0.84 IDH1 (0.49) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1713693 0.84 IDH1 (0.49) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1714038 0.82 KMT2A (0.44) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1714042 0.82 KMT2A (0.44) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL5101168 0.80 MMP2 (0.39) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL5101159 0.80 MMP2 (0.39) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1714497 0.80 MEN1 (0.42) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1714495 0.80 MEN1 (0.42) KMT2AMEN1MMP2MMP3MMP13
SCHEMBL1714704 0.79 MEN1 (0.41) KMT2AMEN1MMP2MMP3MMP13

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-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 KMT2A 3256/4885MEN1 1391/4885MMP2 4760/4885

“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.