SCHEMBL4464994

SCHEMBL4464994

COc1cc(N)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.69
KDM4E B2RXH2 9/20 0.69
POLB P06746 2/20 0.66
HTT P42858 1/20 0.66
MDM2 Q00987 1/20 0.66
HKDC1 Q2TB90 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
NPC1 O15118 2/20 0.63
MAPK1 P28482 1/20 0.63
RXFP1 Q9HBX9 2/20 0.62
MITF O75030 1/20 0.61
PTGS1 P23219 1/20 0.60
THRB P10828 1/20 0.59

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
SCHEMBL4464990 0.88 MAPT (0.66) MAPTKDM4EPOLBHTTMDM2
SCHEMBL549108 0.87 MAPT (0.73) MAPTHTTRXFP1PTGS1
SCHEMBL4474988 0.86 PTGS1 (0.67) MAPTKDM4EPOLBHTTMDM2
SCHEMBL4463935 0.81 PTGS1 (0.89) MAPTPOLBHTTRXFP1PTGS1
SCHEMBL11307930 0.79 PTGS1 (0.76) MAPTHTTNPC1RXFP1PTGS1
SCHEMBL5667231 0.79 PTGS1 (0.67) MAPTKDM4ERXFP1PTGS1
SCHEMBL22025008 0.79 MAPT (0.64) MAPTKDM4EPOLBHTTRXFP1
SCHEMBL13066016 0.78 MAPT (0.55) MAPTKDM4EHTTRXFP1PTGS1
SCHEMBL13066011 0.78 HDAC3 (0.55) MAPTKDM4EHTTPTGS1
SCHEMBL2193786 0.78 PTGS1 (0.67) MAPTKDM4EHTTRXFP1PTGS1

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-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP claimed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK MAPT 1523/4885KDM4E 2272/4885POLB 3073/4885

“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.