SCHEMBL1940331

SCHEMBL1940331

CSc1nc(C)c(C#N)c(Nc2cccc(C)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
RXFP1 Q9HBX9 2/20 0.73
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA7 P43166 1/20 0.44
AURKA O14965 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
NFKB1 P19838 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2729885 0.88 RXFP1 (0.70) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL2728689 0.85 RXFP1 (0.67) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL13494963 0.85 RXFP1 (0.64) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL1946124 0.83 LMNA (0.61) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL1946121 0.83 LMNA (0.61) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL1949416 0.78 ALDH1A1 (0.48) LMNARXFP1THRBKMT2AALDH1A1
SCHEMBL1939779 0.76 LMNA (0.53) LMNARXFP1KMT2AKDM4EAURKA
SCHEMBL1940389 0.76 LMNA (0.45) LMNARXFP1THRBALDH1A1KDM4E
SCHEMBL1940391 0.76 LMNA (0.45) LMNARXFP1THRBALDH1A1KDM4E
SCHEMBL1949965 0.75 LMNA (0.49) LMNARXFP1KDM4E

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 2117/4885THRB 2348/4885

“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.