SCHEMBL4607323

SCHEMBL4607323

O=C(O)c1c[nH]c2c(F)cc(I)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
CSNK2A2 P19784 4/20 0.47
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
CYP1A2 P05177 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TET2 Q6N021 1/20 0.43
TET1 Q8NFU7 1/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL400105 0.84 ALDH1A1 (0.63) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL5320553 0.82 CSNK2A1 (0.50) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL1430430 0.81 CYP1A2 (0.63) KDM4EALDH1A1LMNACYP1A2HSD17B10
SCHEMBL30353208 0.78 ALDH1A1 (0.52) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL1878010 0.78 KDM4E (0.51) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL4650793 0.77 ALDH1A1 (0.46) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL4650139 0.76 ALDH1A1 (0.51) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL30307775 0.76 KDM4E (0.49) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL4650041 0.75 ALDH1A1 (0.47) KDM4EALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL4649447 0.75 RAB9A (0.49) KDM4EALDH1A1LMNACSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105469-A Heterocyclic urea derivatives for the treatment of bacterial infections ASTRAZENECA AB 2011-06-22 CN disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B KDM4E 1376/4885ALDH1A1 360/4885LMNA 1862/4885

“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.