SCHEMBL1499286

SCHEMBL1499286

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1cncc2c1cnn2C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.54
CSF1R P07333 5/20 0.54
LCK P06239 6/20 0.53
KIT P10721 4/20 0.53
ABL1 P00519 3/20 0.53
SRC P12931 2/20 0.53
MAPK14 Q16539 1/20 0.53
KDR P35968 6/20 0.53
TEK Q02763 5/20 0.53
DDR1 Q08345 1/20 0.52
DDR2 Q16832 1/20 0.52
RAF1 P04049 1/20 0.51
FGFR1 P11362 1/20 0.49
BCR P11274 1/20 0.49

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
SCHEMBL1499307 0.91 FGFR1 (0.48) BRAFCSF1RLCKKITABL1
SCHEMBL1499154 0.90 LCK (0.51) CSF1RLCKKITABL1SRC
SCHEMBL3054046 0.90 PTGS1 (0.47) BRAFCSF1RLCKKITABL1
SCHEMBL1499372 0.89 LCK (0.54) BRAFCSF1RLCKKITABL1
SCHEMBL1499230 0.87 CSF1R (0.48) CSF1RKITABL1KDRDDR1
SCHEMBL3054044 0.85 GAA (0.50) BRAFCSF1RLCKKITABL1
SCHEMBL13097210 0.85 BRAF (0.59) BRAFCSF1RLCKKITABL1
SCHEMBL3060803 0.81 FGFR1 (0.42) CSF1RKITKDRDDR1FGFR1
SCHEMBL1499144 0.81 NTRK1 (0.51) BRAFCSF1RLCKKITABL1
SCHEMBL13097211 0.80 BRAF (0.54) BRAFCSF1RLCKKITABL1

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 BRAF 719/4885CSF1R 1967/4885LCK 1459/4885

“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.