SCHEMBL985242

SCHEMBL985242

Nc1ncc(-c2ccc(NC(=O)Nc3cccs3)cc2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.42
FLT3 P36888 5/20 0.38
AURKA O14965 5/20 0.38
ROCK2 O75116 5/20 0.38
MAP4K4 O95819 5/20 0.38
LCK P06239 5/20 0.38
LYN P07948 5/20 0.38
FGFR1 P11362 5/20 0.38
FLT1 P17948 5/20 0.38
BLK P51451 5/20 0.38
NEK2 P51955 5/20 0.38
STK3 Q13188 5/20 0.38
ROCK1 Q13464 5/20 0.38
TAOK1 Q7L7X3 5/20 0.38
LIMK1 P53667 4/20 0.38
NTRK2 Q16620 4/20 0.38
AURKB Q96GD4 4/20 0.38
FYN P06241 4/20 0.38
CSF1R P07333 4/20 0.38
MET P08581 4/20 0.38

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
SCHEMBL986341 0.93 BRAF (0.41) KDRFLT3AURKAROCK2MAP4K4
SCHEMBL988091 0.88 KMT2A (0.41) ABL1MAPTMEN1KMT2ATP53
SCHEMBL984929 0.86 KCNN4 (0.42) MAP4K4FYNMEN1KMT2ACHEK2
SCHEMBL985557 0.86 TAAR1 (0.42) KDRFLT3AURKAROCK2MAP4K4
SCHEMBL984454 0.85 FYN (0.46) FYNMEN1KMT2ACHEK2CDK8
SCHEMBL985955 0.85 JAK2 (0.40) KDRFLT3AURKAROCK2MAP4K4
SCHEMBL985141 0.85 KIT (0.41) KDRFLT3AURKAROCK2MAP4K4
SCHEMBL986578 0.84 KCNN4 (0.41) KDRFYNCHEK2IKBKEPDGFRB
SCHEMBL985133 0.84 KCNN4 (0.41) MAP4K4FYNMAPTMEN1KMT2A
SCHEMBL985229 0.83 TBK1 (0.43) MAPTSMN1; SMN2LMNACHEK2IKBKE

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
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-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 KDR 232/4885FLT3 37/4885AURKA 287/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KDR 232/4885FLT3 37/4885AURKA 287/4885

“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.