SCHEMBL4243941

SCHEMBL4243941

O=Cc1ccc2ncn(CCC3CCCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ADRA2A P08913 1/20 0.43
LNPEP Q9UIQ6 1/20 0.41
PRPS1 P60891 4/20 0.40
DYRK3 O43781 2/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK4 Q9NR20 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCR5 P51681 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4242652 0.96 LMNA (0.53) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL4249780 0.82 GABRG2 (0.47) FGFR1CDK9
SCHEMBL3414135 0.80 HDAC1 (0.53) FGFR1TDP1KDRHDAC1
SCHEMBL13931440 0.79 HDAC1 (0.50) LMNAHTTFGFR1TDP1HDAC1
SCHEMBL4247958 0.78 HDAC1 (0.39) LMNAFGFR1TDP1HDAC1BRD4
SCHEMBL4245802 0.77 LMNA (0.60) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL4237481 0.76 MAPK1 (0.45) FGFR1TDP1SRCHDAC1CDK9
SCHEMBL4161504 0.76 GPR119 (0.46) CLK2CLK3DYRK1ADYRK2CLK4
SCHEMBL5695756 0.76 HDAC1 (0.48) FGFR1HDAC1
SCHEMBL28689236 0.76 POLB (0.39) LMNACLK1DYRK1ACLK4DYRK1B

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.