SCHEMBL1939779

SCHEMBL1939779

CSc1nc(C)c(C(=O)O)c(Nc2cccc(C)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PPARG P37231 2/20 0.52
TP53 P04637 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
RXRA P19793 1/20 0.43
RXRG P48443 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CSNK2A1 P68400 2/20 0.43
MAPT P10636 3/20 0.42
AURKA O14965 2/20 0.42
MAPK8 P45983 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL1949965 0.89 LMNA (0.49) LMNARXFP1PPARGTP53KDM4E
SCHEMBL1988610 0.88 LMNA (0.48) LMNARXFP1PPARGTP53KDM4E
SCHEMBL1939342 0.85 SYK (0.55) LMNARXFP1PPARGTP53KDM4E
SCHEMBL27875876 0.85 LMNA (0.51) LMNAPPARGTP53MEN1KMT2A
SCHEMBL16964208 0.81 LMNA (0.45) LMNARXFP1PPARGTP53KDM4E
SCHEMBL16964209 0.81 LMNA (0.45) LMNARXFP1PPARGTP53KDM4E
SCHEMBL17069448 0.81 LMNA (0.48) LMNARXFP1PPARGTP53KDM4E
SCHEMBL17069444 0.80 LMNA (0.47) LMNARXFP1PPARGRXRARXRG
SCHEMBL28123419 0.78 PPARG (0.53) LMNARXFP1PPARGKDM4EMAPK1
SCHEMBL1811503 0.77 PPARG (0.54) LMNARXFP1PPARGTP53KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 EP disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (1 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-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 LMNA 4436/4885RXFP1 2117/4885PPARG 445/4885

“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.