SCHEMBL7189256

SCHEMBL7189256

Cc1nc(N2CCOCC2)ccc1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.54
BRAF P15056 7/20 0.54
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
IDH2 P48735 5/20 0.51
ERN1 O75460 3/20 0.51
TRPV4 Q9HBA0 1/20 0.49
AKT1 P31749 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK2A1 P68400 1/20 0.49
STK3 Q13188 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49

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
SCHEMBL4464429 0.87 PIK3CA (0.52) KDM4EGAACLK2GSK3AGSK3B
SCHEMBL27559838 0.86 MAPK14 (0.54) RAF1BRAFKDM4EGAACLK2
SCHEMBL28747223 0.85 CLK2 (0.49) RAF1BRAFKDM4EGAACLK2
SCHEMBL7069390 0.83 EPHX2 (0.49) RAF1BRAFKDM4EGAACLK2
SCHEMBL4456006 0.82 MAPK1 (0.42) BRAFKDM4EGAACLK2GSK3A
SCHEMBL7070212 0.80 MAPK14 (0.49) RAF1BRAFKDM4EGAAAKT1
SCHEMBL7067699 0.80 CNR1 (0.47) KDM4ECLK2GSK3AGSK3BCSNK2A1
SCHEMBL7064948 0.78 KDM4E (0.45) KDM4EGAAAKT1CLK2GSK3A
SCHEMBL6257285 0.78 MTOR (0.41) KDM4EGSK3A
SCHEMBL5462710 0.78 PIK3CA (0.40) KDM4EAKT1CLK2GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 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-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 RAF1 712/4885BRAF 2107/4885KDM4E 3817/4885

“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.