SCHEMBL4245802

SCHEMBL4245802

OCc1ccc2ncn(CCC3CCCC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ADRA2A P08913 1/20 0.44
PRPS1 P60891 9/20 0.43
LNPEP Q9UIQ6 1/20 0.41
NAMPT P43490 1/20 0.38
CCR5 P51681 1/20 0.38
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK9 P50750 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4240339 0.78 TDP1 (0.39) LMNAHTTTDP1
SCHEMBL4243941 0.77 LMNA (0.59) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL18686903 0.77 LNPEP (0.58) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL25982319 0.75 L3MBTL1 (0.48) LMNATSHRHTTNPSR1
SCHEMBL4242652 0.73 LMNA (0.53) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL22862828 0.73 HSD17B10 (0.43)
SCHEMBL29340890 0.71 POLB (0.56) LMNAHTT
SCHEMBL4336512 0.71 DYRK1A (0.47) LMNAHTTTDP1
SCHEMBL2950577 0.70 HTT (0.53) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL1844354 0.70 CYP1A2 (0.41) TSHR

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 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 LMNA 1240/4885TSHR 4520/4885HTT 216/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA LMNA 4788/4885TSHR 1457/4885HTT 1811/4885

“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.