SCHEMBL1946121

SCHEMBL1946121

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA7 P43166 1/20 0.38
AURKA O14965 1/20 0.37
POLB P06746 2/20 0.35
EGFR P00533 1/20 0.35
FER P16591 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 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
SCHEMBL1946124 1.00 LMNA (0.61) LMNARXFP1THRBKMT2AKDM4E
SCHEMBL13494963 0.87 RXFP1 (0.64) LMNARXFP1THRBKMT2AKDM4E
SCHEMBL1940331 0.83 LMNA (0.73) LMNARXFP1THRBKMT2AKDM4E
SCHEMBL16964208 0.80 LMNA (0.45) LMNARXFP1KMT2AKDM4EAURKA
SCHEMBL16964209 0.80 LMNA (0.45) LMNARXFP1KMT2AKDM4EAURKA
SCHEMBL2729885 0.79 RXFP1 (0.70) LMNARXFP1THRBKMT2AKDM4E
SCHEMBL16964114 0.79 LMNA (0.42) LMNARXFP1KMT2AALDH1A1AURKA
SCHEMBL16964115 0.79 LMNA (0.42) LMNARXFP1KMT2AALDH1A1AURKA
SCHEMBL2728689 0.77 RXFP1 (0.67) LMNARXFP1THRBKMT2AKDM4E
SCHEMBL18351982 0.77 SYK (0.48) LMNARXFP1KDM4EALDH1A1POLB

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 7 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
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

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.