SCHEMBL986129

SCHEMBL986129

COc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FYN P06241 5/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KCNN4 O15554 8/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
TGFBR1 P36897 2/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACVR1 Q04771 1/20 0.40

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
SCHEMBL983490 0.91 FYN (0.50) ALDH1A1FYNLMNATSHRRAB9A
SCHEMBL985174 0.90 KCNN4 (0.45) FYNKCNN4MAP4K4
SCHEMBL985486 0.90 MAP4K4 (0.49) KCNN4MAP4K4TGFBR1ACVR1
SCHEMBL984938 0.89 KCNN4 (0.46) FYNKCNN4MAP4K4
SCHEMBL983143 0.89 KCNN4 (0.48) ALDH1A1FYNLMNATSHRRAB9A
SCHEMBL985325 0.89 KCNN4 (0.47) ALDH1A1FYNKCNN4
SCHEMBL984379 0.89 FYN (0.50) FYNKCNN4CHEK2TGFBR1ACVR1
SCHEMBL4411466 0.88 MAP4K4 (0.41) KCNN4MAP4K4CHEK2TGFBR1ACVR1
SCHEMBL986230 0.88 KCNN4 (0.49) KCNN4MAP4K4
SCHEMBL986729 0.88 KCNN4 (0.42) FYNKCNN4MAP4K4CHEK2

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 14 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
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 ALDH1A1 3864/4885FYN 392/4885LMNA 3472/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885FYN 392/4885LMNA 3472/4885

“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.