SCHEMBL1499154

SCHEMBL1499154

Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cncc2c1cnn2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.51
KIT P10721 2/20 0.51
CSF1R P07333 2/20 0.51
SRC P12931 2/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
MAP4K4 O95819 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
INSR P06213 1/20 0.51
FYN P06241 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
FGFR1 P11362 1/20 0.51
FER P16591 1/20 0.51
FLT1 P17948 1/20 0.51
RPS6KB1 P23443 1/20 0.51
EPHA2 P29317 1/20 0.51

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
SCHEMBL1499144 0.91 NTRK1 (0.51) LCKKITCSF1RSRCDYRK3
SCHEMBL1499286 0.90 BRAF (0.54) LCKKITCSF1RSRCFGFR1
SCHEMBL1499387 0.89 NTRK1 (0.50) LCKKITCSF1RSRCDYRK3
SCHEMBL1499331 0.88 KDR (0.49) LCKKITCSF1RDYRK3ROCK2
SCHEMBL13096864 0.84 LCK (0.57) LCKKITCSF1RSRCDYRK3
SCHEMBL13873272 0.83 NTRK1 (0.57) LCKKITCSF1RSRCDYRK3
SCHEMBL3842232 0.81 KIT (0.70) LCKKITCSF1RSRCDYRK3
SCHEMBL2419336 0.81 BRD9 (0.41) LCKKITCSF1RSRCROCK2
SCHEMBL1499307 0.81 FGFR1 (0.48) LCKKITCSF1RSRCFGFR1
SCHEMBL13873086 0.81 NTRK1 (0.59) LCKKITCSF1RSRCDYRK3

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
US-8481539-B2 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-09 US claimed
EP-2229389-B1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Pharma AG (DE) 2011-09-14 EP claimed
JP-2011506365-A 2011-03-03 JP claimed
US-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US claimed
EP-2229389-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP claimed
WO-2009074260-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO claimed
EP-2070929-A1 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP claimed
US-8481539-B2 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-09 US disclosed
US-8481539-B2 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-09 US disclosed
US-8481539-B2 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-09 US disclosed
EP-2229389-B1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Pharma AG (DE) 2011-09-14 EP disclosed
US-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
EP-2070929-A1 Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP 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 (1 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-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME ALK, ALKBH3, EDNRB LCK 1459/4885KIT 333/4885CSF1R 1967/4885

“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.