SCHEMBL4240380

SCHEMBL4240380

Cc1nc2ccc(/C=C3\SC(Nc4c(F)cccc4F)=NC3=O)cc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
XDH P47989 1/20 0.37
CISD1 Q9NZ45 1/20 0.36
ALOX5 P09917 4/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
RECQL P46063 2/20 0.33
LMNA P02545 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL4240381 1.00 KMT2A (0.37) KMT2AMEN1XDHCISD1ALOX5
SCHEMBL4248938 0.88 ENPP2 (0.39) KMT2AMEN1CISD1ALOX5MAPT
SCHEMBL4248941 0.88 ENPP2 (0.39) KMT2AMEN1CISD1ALOX5MAPT
SCHEMBL4238331 0.85 KMT2A (0.36) KMT2AMEN1XDHCISD1ALOX5
SCHEMBL4238337 0.85 KMT2A (0.36) KMT2AMEN1XDHCISD1ALOX5
SCHEMBL4243948 0.84 RAB9A (0.38) KMT2AMEN1ALOX5MAPTALDH1A1
SCHEMBL4243944 0.84 RAB9A (0.38) KMT2AMEN1ALOX5MAPTALDH1A1
SCHEMBL4248127 0.83 CISD1 (0.39) KMT2AMEN1XDHCISD1ALOX5
SCHEMBL4248124 0.83 CISD1 (0.39) KMT2AMEN1XDHCISD1ALOX5
SCHEMBL4249646 0.82 CISD1 (0.40) KMT2AMEN1XDHCISD1ALOX5

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 6 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
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (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 KMT2A 2981/4885MEN1 3687/4885XDH 2210/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KMT2A 3096/4885MEN1 2870/4885XDH 1097/4885

“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.