SCHEMBL4245895

SCHEMBL4245895

CN(C)CCn1cnc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
CISD1 Q9NZ45 1/20 0.36
ENPP2 Q13822 1/20 0.35
POLB P06746 1/20 0.34
EGFR P00533 3/20 0.34
MAP2K1 Q02750 1/20 0.34
CDK9 P50750 1/20 0.34
ALOX5 P09917 1/20 0.33
HDAC1 Q13547 1/20 0.33
DYRK3 O43781 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LYN P07948 1/20 0.32
BTK Q06187 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NR1I2 O75469 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL4245898 1.00 HTR6 (0.42) HTR6CISD1ENPP2POLBEGFR
SCHEMBL4241884 0.92 CISD1 (0.36) HTR6CISD1ENPP2POLBALOX5
SCHEMBL4241880 0.92 CISD1 (0.36) HTR6CISD1ENPP2POLBALOX5
SCHEMBL4237292 0.91 HTR6 (0.44) HTR6CISD1ENPP2POLBEGFR
SCHEMBL4237297 0.91 HTR6 (0.44) HTR6CISD1ENPP2POLBEGFR
SCHEMBL4248162 0.89 HSD17B13 (0.41) CISD1ENPP2POLBCDK9ALOX5
SCHEMBL4248165 0.89 HSD17B13 (0.41) CISD1ENPP2POLBCDK9ALOX5
SCHEMBL4243934 0.88 EGFR (0.40) HTR6CISD1POLBEGFRALOX5
SCHEMBL4243927 0.88 EGFR (0.40) HTR6CISD1POLBEGFRALOX5
SCHEMBL4240336 0.86 LMNA (0.39) CISD1ENPP2HDAC1DYRK3PIM1

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 HTR6 3737/4885CISD1 2650/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HTR6 1179/4885CISD1 4327/4885ENPP2 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.