SCHEMBL986433

SCHEMBL986433

CN(C(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.41
KCNN4 O15554 8/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACHE P22303 1/20 0.37
MAP4K4 O95819 1/20 0.35
TP53 P04637 1/20 0.34
CHEK2 O96017 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
FYN P06241 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
SCHEMBL986877 0.93 FYN (0.41) KDRKCNN4NPC1RAB9ASMN1; SMN2
SCHEMBL984454 0.87 FYN (0.46) KCNN4ACHECHEK2FYN
SCHEMBL982686 0.86 KCNN4 (0.38) KCNN4ACHEMAP4K4CHEK2MKNK1
SCHEMBL984929 0.86 KCNN4 (0.42) KCNN4ACHEMAP4K4CHEK2MKNK1
SCHEMBL985530 0.86 TP53 (0.39) KDRKCNN4MAP4K4TP53FYN
SCHEMBL986578 0.85 KCNN4 (0.41) KDRKCNN4ACHECHEK2FYN
SCHEMBL987882 0.85 MAPT (0.40) KDRKCNN4ACHEMAP4K4CHEK2
SCHEMBL987266 0.85 SLC2A1 (0.44) KDRKCNN4ACHECHEK2FYN
SCHEMBL4409316 0.84 KCNN4 (0.37) KDRKCNN4ACHEFYN
SCHEMBL985666 0.84 KCNN4 (0.38) KDRKCNN4TP53FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDR 232/4885KCNN4 4013/4885NPC1 1406/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KDR 232/4885KCNN4 4013/4885NPC1 1406/4885

“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.