SCHEMBL4242652

SCHEMBL4242652

O=Cc1ccc2ncn(CCC3CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADRA2A P08913 1/20 0.39
PRPS1 P60891 2/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
LNPEP Q9UIQ6 1/20 0.37
ACHE P22303 1/20 0.37
FGFR1 P11362 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP2A6 P11509 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
HDAC1 Q13547 1/20 0.34
DYRK3 O43781 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
SCHEMBL4243941 0.96 LMNA (0.59) LMNATSHRHTTNPSR1ADRA2A
SCHEMBL4249780 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5FGFR1
SCHEMBL13931440 0.80 HDAC1 (0.50) LMNAHTTFGFR1TDP1BRD4
SCHEMBL4247958 0.80 HDAC1 (0.39) LMNAFGFR1TDP1BRD4MTNR1A
SCHEMBL3414135 0.78 HDAC1 (0.53) FGFR1TDP1HDAC1
SCHEMBL4237481 0.77 MAPK1 (0.45) FGFR1TDP1HDAC1
SCHEMBL4161504 0.77 GPR119 (0.46) CLK2CLK3DYRK1ADYRK2CLK4
SCHEMBL5695756 0.77 HDAC1 (0.48) FGFR1CYP2A6HDAC1
SCHEMBL5695731 0.77 MEN1 (0.57) LMNAHTTFGFR1TDP1BRD4
SCHEMBL28689236 0.77 POLB (0.39) LMNAFGFR1TDP1BRD4MTNR1A

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.