SCHEMBL1714561

SCHEMBL1714561

CN1C(=O)/C(=C/c2c[nH]c3ncccc23)NC1=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.61
AHR P35869 2/20 0.54
KMT2A Q03164 4/20 0.50
CHEK1 O14757 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HASPIN Q8TF76 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1714562 1.00 IDH1 (0.61) IDH1AHRKMT2ACHEK1MAPT
SCHEMBL23600362 0.89 KMT2A (0.54) IDH1AHRKMT2ACHEK1HASPIN
SCHEMBL23579237 0.85 IDH1 (0.52) IDH1KMT2ACHEK1MAPTALDH1A1
SCHEMBL23579234 0.85 IDH1 (0.52) IDH1KMT2ACHEK1MAPTALDH1A1
SCHEMBL13676682 0.83 PTPN1 (0.51) IDH1KMT2ACHEK1MAPTALDH1A1
SCHEMBL26425757 0.80 AHR (0.62) IDH1AHRKMT2AMAPTALDH1A1
SCHEMBL23578898 0.79 HASPIN (0.52) KMT2ACHEK1ALDH1A1HASPINCCNT1
SCHEMBL23600440 0.79 KMT2A (0.50) KMT2ACHEK1MAPTALDH1A1HASPIN
SCHEMBL23578897 0.79 HASPIN (0.52) KMT2ACHEK1ALDH1A1HASPINCCNT1
SCHEMBL23600441 0.79 KMT2A (0.50) KMT2ACHEK1HASPINCCNT1CDK9

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 9 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
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
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
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
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
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
WO-2008046982-A2 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2008-04-24 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 IDH1 1175/4885AHR 4647/4885KMT2A 3256/4885

“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.