SCHEMBL4244779

SCHEMBL4244779

Cc1nc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.36
ENPP2 Q13822 2/20 0.35
ALOX5 P09917 3/20 0.34
LCK P06239 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DYRK3 O43781 1/20 0.33
TNK2 Q07912 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL4244782 1.00 CISD1 (0.36) CISD1ENPP2ALOX5LCKHDAC1
SCHEMBL4241167 0.91 GSK3B (0.38) CISD1ENPP2ALOX5HDAC1HDAC8
SCHEMBL4241164 0.91 GSK3B (0.38) CISD1ENPP2ALOX5HDAC1HDAC8
SCHEMBL4246823 0.90 KMT2A (0.39) CISD1ENPP2ALOX5LCKHDAC1
SCHEMBL4246816 0.90 KMT2A (0.39) CISD1ENPP2ALOX5LCKHDAC1
SCHEMBL4237426 0.89 CISD1 (0.36) CISD1ENPP2ALOX5LCKHDAC1
SCHEMBL4237434 0.89 CISD1 (0.36) CISD1ENPP2ALOX5LCKHDAC1
SCHEMBL4238064 0.87 POLB (0.38) ALOX5HDAC1HDAC8HDAC6DYRK3
SCHEMBL4238059 0.87 POLB (0.38) ALOX5HDAC1HDAC8HDAC6DYRK3
SCHEMBL4238397 0.86 RAB9A (0.38) CISD1ENPP2LCKHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 2650/4885ENPP2 1265/4885ALOX5 4387/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885ENPP2 562/4885ALOX5 2146/4885

“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.