SCHEMBL985666

SCHEMBL985666

CCC(CC)C(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.38
EIF2S1 P05198 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
SLC2A1 P11166 1/20 0.36
TP53 P04637 1/20 0.35
PDGFRB P09619 3/20 0.35
KDR P35968 3/20 0.35
FYN P06241 1/20 0.35
USP7 Q93009 1/20 0.35
MAPK1 P28482 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY2R P49146 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
SCHEMBL4409316 0.92 KCNN4 (0.37) KCNN4EIF2S1EIF2AK3SLC2A1PDGFRB
SCHEMBL987266 0.91 SLC2A1 (0.44) KCNN4EIF2S1EIF2AK3SLC2A1PDGFRB
SCHEMBL985133 0.88 KCNN4 (0.41) KCNN4TP53FYNUSP7MEN1
SCHEMBL984454 0.88 FYN (0.46) KCNN4FYNUSP7MEN1KMT2A
SCHEMBL982851 0.88 GSK3B (0.43) KCNN4TP53MAPK1MEN1KMT2A
SCHEMBL985141 0.88 KIT (0.41) KCNN4PDGFRBKDRFYN
SCHEMBL984929 0.87 KCNN4 (0.42) KCNN4FYNUSP7MEN1KMT2A
SCHEMBL985530 0.87 TP53 (0.39) KCNN4TP53KDRFYNUSP7
SCHEMBL986578 0.87 KCNN4 (0.41) KCNN4SLC2A1PDGFRBKDRFYN
SCHEMBL987882 0.86 MAPT (0.40) KCNN4PDGFRBKDRFYNUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 KCNN4 4013/4885EIF2S1 511/4885EIF2AK3 448/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KCNN4 4013/4885EIF2S1 511/4885EIF2AK3 448/4885

“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.