SCHEMBL1499307

SCHEMBL1499307

Cn1ncc2c(C#Cc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3F)cncc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
KDR P35968 1/20 0.48
BRAF P15056 5/20 0.48
CSF1R P07333 4/20 0.48
RAF1 P04049 1/20 0.48
KIT P10721 3/20 0.47
ABL1 P00519 2/20 0.47
LCK P06239 1/20 0.47
SRC P12931 1/20 0.47
MAPK14 Q16539 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
KCNE1 P15382 2/20 0.45
KCNQ1 P51787 2/20 0.45

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
SCHEMBL1499286 0.91 BRAF (0.54) FGFR1KDRBRAFCSF1RRAF1
SCHEMBL1499144 0.90 NTRK1 (0.51) FGFR1KDRBRAFCSF1RRAF1
SCHEMBL3054046 0.90 PTGS1 (0.47) FGFR1KDRBRAFCSF1RRAF1
SCHEMBL1499372 0.89 LCK (0.54) FGFR1KDRBRAFCSF1RKIT
SCHEMBL3054044 0.85 GAA (0.50) FGFR1KDRBRAFCSF1RRAF1
SCHEMBL13096655 0.85 DDR2 (0.52) BRAFCSF1RRAF1KITABL1
SCHEMBL1499154 0.81 LCK (0.51) FGFR1KDRCSF1RKITABL1
SCHEMBL13097211 0.80 BRAF (0.54) FGFR1KDRBRAFCSF1RRAF1
SCHEMBL13097210 0.80 BRAF (0.59) KDRBRAFCSF1RRAF1KIT
SCHEMBL1499387 0.79 NTRK1 (0.50) FGFR1KDRCSF1RKITLCK

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-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
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

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 FGFR1 73/4885KDR 6/4885BRAF 719/4885

“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.