SCHEMBL4237282

SCHEMBL4237282

Cc1nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ENPP2 Q13822 2/20 0.38
ALOX5 P09917 4/20 0.37
GSK3B P49841 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 2/20 0.34
DYRK3 O43781 1/20 0.34
LCK P06239 1/20 0.33
C1R P00736 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
SCHEMBL4237289 1.00 NPC1 (0.42) NPC1MAPTPOLBRAB9AENPP2
SCHEMBL4248941 0.89 ENPP2 (0.39) NPC1MAPTPOLBRAB9AENPP2
SCHEMBL4248938 0.89 ENPP2 (0.39) NPC1MAPTPOLBRAB9AENPP2
SCHEMBL4249646 0.89 CISD1 (0.40) NPC1MAPTRAB9AENPP2ALOX5
SCHEMBL4249642 0.89 CISD1 (0.40) NPC1MAPTRAB9AENPP2ALOX5
SCHEMBL4238322 0.88 ENPP2 (0.37) NPC1MAPTENPP2ALOX5KMT2A
SCHEMBL4238325 0.88 ENPP2 (0.37) NPC1MAPTENPP2ALOX5KMT2A
SCHEMBL4240631 0.87 ENPP2 (0.36) MAPTENPP2ALOX5KMT2AMEN1
SCHEMBL4240636 0.87 ENPP2 (0.36) MAPTENPP2ALOX5KMT2AMEN1
SCHEMBL4241167 0.86 GSK3B (0.38) NPC1MAPTPOLBRAB9AENPP2

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 NPC1 2021/4885MAPT 1769/4885POLB 3279/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA NPC1 2430/4885MAPT 2228/4885POLB 3951/4885

“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.