SCHEMBL4504457

SCHEMBL4504457

OCC(Cc1ccccc1)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK3 P52333 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CASR P41180 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ RPS6KA4 O75676 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ PRKX P51817 1/20 0.35

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
SCHEMBL4498654 0.90 ENPP2 (0.35) ENPP2MAPK1ACHE
SCHEMBL4492347 0.89 ENPP2 (0.43) ENPP2MEN1KMT2ACYP3A4CYP1A2
SCHEMBL4502225 0.87 ENPP2 (0.35) ENPP2CCNCCDK8MAPK1IGF1R
SCHEMBL4504228 0.87 CRHR1 (0.37) ENPP2CASRMAPK1CYP3A4ACHE
SCHEMBL4516940 0.85 LMNA (0.39) MAPK1
SCHEMBL4513405 0.83 ENPP2 (0.34) ENPP2CCNCCDK8TNFIL1B
SCHEMBL4490949 0.83 NR1H2 (0.38) ENPP2MAPTCASRCYP3A4CYP1A2
SCHEMBL4502158 0.82 ENPP2 (0.40) ENPP2KDM4EMEN1MAPTKMT2A
SCHEMBL3242951 0.78 MAPT (0.50) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4493361 0.76 ACHE (0.44) KDM4EACHETNFIL1BNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ENPP2 778/4885KDM4E 4565/4885MEN1 2895/4885

“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.

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