SCHEMBL594346

SCHEMBL594346

COc1cccc2c(=O)c(I)n[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MCL1 Q07820 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 1/20 0.50
NQO2 P16083 1/20 0.44
ITK Q08881 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
ALOX12 P18054 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL30039348 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL5484683 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL1977213 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL18436677 0.77 CHEK1 (0.58) KDM4EL3MBTL1ARDAOABL1
SCHEMBL594994 0.76 AR (0.39) LMNAMAPK10ARDAORAB9A
SCHEMBL28369687 0.75 CHEK1 (0.55) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL30548013 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL20674039 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL7357858 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL2858690 0.72 CDK9 (0.54) KDM4EALDH1A1HPGDMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US disclosed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 US disclosed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 KDM4E 3133/4885ALDH1A1 718/4885HPGD 2778/4885

“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.