SCHEMBL4238346

SCHEMBL4238346

Cc1nc2ccc(/C=C3\SC(Nc4ccc(F)cc4F)=NC3=O)cc2n1CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.39
NME2 P22392 5/20 0.34
NQO1 P15559 1/20 0.34
HDAC4 P56524 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
BLM P54132 2/20 0.33
ABCB1 P08183 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
XDH P47989 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL4238351 1.00 NQO2 (0.39) NQO2NME2NQO1HDAC4CISD1
SCHEMBL4238331 0.87 KMT2A (0.36) HDAC4CISD1MEN1XDHKMT2A
SCHEMBL4238337 0.87 KMT2A (0.36) HDAC4CISD1MEN1XDHKMT2A
SCHEMBL4246413 0.84 MAP2K1 (0.42) NQO2NQO1HDAC4CISD1MEN1
SCHEMBL4246417 0.84 MAP2K1 (0.42) NQO2NQO1HDAC4CISD1MEN1
SCHEMBL4241167 0.84 GSK3B (0.38) NQO2HDAC4CISD1SMN1; SMN2MEN1
SCHEMBL4241164 0.84 GSK3B (0.38) NQO2HDAC4CISD1SMN1; SMN2MEN1
SCHEMBL4238059 0.84 POLB (0.38) TSHRSMN1; SMN2MEN1KMT2AALOX5
SCHEMBL4238064 0.84 POLB (0.38) TSHRSMN1; SMN2MEN1KMT2AALOX5
SCHEMBL4244779 0.82 CISD1 (0.36) CISD1MEN1KMT2AALOX5HDAC1

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 NQO2 3484/4885NME2 1501/4885NQO1 3493/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA NQO2 2350/4885NME2 1127/4885NQO1 1751/4885

“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.