SCHEMBL1844592

SCHEMBL1844592

Cc1nccn1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 2/20 0.47
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
MERTK Q12866 1/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
ESR2 Q92731 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ACHE P22303 2/20 0.42
CNR2 P34972 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL15071657 0.82 LMNA (0.55) LMNAL3MBTL1AXLFLT3MERTK
SCHEMBL1839002 0.80 LMNA (0.52) LMNAL3MBTL1AGTR1AGTR2
Hydrochloric Acid SCHEMBL7837414 0.79 LMNA (0.51) LMNAL3MBTL1AGTR1AGTR2
SCHEMBL31729500 0.79 LMNA (0.68) LMNAL3MBTL1
SCHEMBL703015 0.79 PPARG (0.39) LMNAPPARGAXLFLT3MERTK
SCHEMBL1507998 0.78 CYP11B1 (0.48)
SCHEMBL7855826 0.78 LMNA (0.59) LMNAL3MBTL1
Water SCHEMBL10592152 0.77 LMNA (0.61) LMNAL3MBTL1
SCHEMBL31270697 0.77 LMNA (0.74) LMNAL3MBTL1
SCHEMBL24803088 0.76 PRKAG1 (0.43) PPARGAXLFLT3MERTKPRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 LMNA 2386/4885L3MBTL1 4726/4885PPARG 85/4885

“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.