SCHEMBL985955

SCHEMBL985955

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
BRAF P15056 1/20 0.38
PDGFRB P09619 7/20 0.38
FGFR1 P11362 3/20 0.38
SRC P12931 3/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 12/20 0.37
KIT P10721 5/20 0.36
FLT3 P36888 5/20 0.36
FYN P06241 4/20 0.36
LCK P06239 3/20 0.36
CSF1R P07333 3/20 0.36
LYN P07948 3/20 0.36
FLT1 P17948 3/20 0.36
FLT4 P35916 3/20 0.36
BLK P51451 3/20 0.36
PLK4 O00444 2/20 0.36
AURKA O14965 2/20 0.36
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 2/20 0.36

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
SCHEMBL986141 0.93 BRAF (0.44) BRAFPDGFRBFGFR1SRCPDGFRA
SCHEMBL987882 0.90 MAPT (0.40) PDGFRBKDRFYNMAP4K4KCNN4
SCHEMBL984454 0.89 FYN (0.46) FYNKCNN4CHEK2USP7
SCHEMBL985141 0.89 KIT (0.41) JAK2PDGFRBFGFR1SRCKDR
SCHEMBL984929 0.88 KCNN4 (0.42) FYNMAP4K4KCNN4CHEK2USP7
SCHEMBL987108 0.88 AKT1 (0.39) FYNKCNN4USP7
SCHEMBL986578 0.87 KCNN4 (0.41) PDGFRBKDRFYNKCNN4CHEK2
SCHEMBL987266 0.87 SLC2A1 (0.44) PDGFRBKDRFYNMETKCNN4
SCHEMBL27900727 0.86 EIF2S1 (0.36) PDGFRBFGFR1SRCKDRKIT
SCHEMBL985557 0.86 TAAR1 (0.42) JAK2BRAFFGFR1SRCPDGFRA

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 12 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-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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (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 JAK2 33/4885BRAF 10/4885PDGFRB 203/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 JAK2 33/4885BRAF 10/4885PDGFRB 203/4885

“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.