SCHEMBL4238397

SCHEMBL4238397

Cc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1CCN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.37
ENPP2 Q13822 2/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LCK P06239 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
MEN1 O00255 3/20 0.35
ESRRA P11474 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL4238395 1.00 RAB9A (0.38) RAB9AMCHR1ENPP2MAPTKMT2A
SCHEMBL4248255 0.91 RAB9A (0.37) RAB9AMCHR1ENPP2MAPTKMT2A
SCHEMBL4248260 0.91 RAB9A (0.37) RAB9AMCHR1ENPP2MAPTKMT2A
SCHEMBL4243944 0.90 RAB9A (0.38) RAB9AMCHR1MAPTKMT2AHTT
SCHEMBL4243948 0.90 RAB9A (0.38) RAB9AMCHR1MAPTKMT2AHTT
SCHEMBL4246816 0.88 KMT2A (0.39) ENPP2MAPTKMT2AALDH1A1LCK
SCHEMBL4246823 0.88 KMT2A (0.39) ENPP2MAPTKMT2AALDH1A1LCK
SCHEMBL4244782 0.86 CISD1 (0.36) ENPP2KMT2AALDH1A1LCKHDAC1
SCHEMBL4244779 0.86 CISD1 (0.36) ENPP2KMT2AALDH1A1LCKHDAC1
SCHEMBL4249791 0.84 HDAC1 (0.41) MCHR1ENPP2MAPTKMT2AHTT

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 8 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
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 RAB9A 1029/4885MCHR1 3365/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA RAB9A 1514/4885MCHR1 4843/4885ENPP2 562/4885

“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.