SCHEMBL5565224

SCHEMBL5565224

O=C(c1nc(-c2oncc2-c2cccc(F)c2F)c[nH]1)N1CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.37
PLA2G7 Q13093 1/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
HRH4 Q9H3N8 2/20 0.31
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL14600756 0.83 HPGD (0.39) BCAT1CCNE2CCNE1CDK2LRRK2
SCHEMBL14600775 0.80 BCAT1 (0.39) BCAT1CCNE2CCNE1CDK2
SCHEMBL14600777 0.74 GSK3B (0.53) HPGD
SCHEMBL14600755 0.73 BCAT1 (0.41) BCAT1CCNE2CCNE1CDK2CCNT1
SCHEMBL14600776 0.71 ALDH1A1 (0.46)
SCHEMBL14600753 0.69 GSK3B (0.53) HPGD
SCHEMBL14600754 0.69 HPGD (0.42) CCNE2CCNE1CDK2LRRK2HRH4
SCHEMBL5557730 0.68 PLA2G7 (0.35) PLA2G7HRH4HPGD
SCHEMBL4833072 0.67 TNIK (0.41) CDK2LRRK2HPGD
SCHEMBL5047846 0.67 MAPK1 (0.47) BCAT1HRH4HPGD

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-1697352-B1 4-AZOLE SUBSTITUTED IMIDAZOLE COMPOSITIONS USEFUL AS INHIBITORS OR C-MET RECEPTOR TYROSINE KINASE VERTEX PHARMA (US) 2012-06-27 EP disclosed
US-7169800-B2 Imidazole compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169800-B2 Imidazole compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169800-B2 Imidazole compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
EP-1697352-A2 4-AZOLE SUBSTITUTED IMIDAZOLE COMPOSITIONS USEFUL AS INHIBITORS OR C-MET RECEPTOR TYROSINE KINASE Vertex Pharmceuticals Incorporated (US) 2006-09-06 EP disclosed
US-20050148574-A1 Imidazole compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005040345-A2 4-AZOLE SUBSTITUTED IMIDAZOLE COMPOSITIONS USEFUL AS INHIBITORS OR C-MET RECEPTOR TYROSINE KINASE VERTEX PHARMCEUTICALS INCORPORATED (US) 2005-05-06 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-20050148574-A1 Imidazole compositions useful as inhibitors of protein kinases MAP3K20, PRKDC, MAP3K1 BCAT1 844/4885PLA2G7 1849/4885CCNE2 1873/4885

“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.