SCHEMBL13097009

SCHEMBL13097009

Cc1ccc(F)c(C(=O)Nc2cccc(-c3cncc4c3cnn4C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 2/20 0.49
KDR P35968 9/20 0.49
CSF1R P07333 4/20 0.47
PDGFRB P09619 4/20 0.42
ROCK2 O75116 3/20 0.42
KIT P10721 3/20 0.42
FGFR1 P11362 3/20 0.42
FLT1 P17948 3/20 0.42
FLT4 P35916 3/20 0.42
AURKA O14965 2/20 0.42
MAPK13 O15264 2/20 0.42
DYRK3 O43781 2/20 0.42
RPS6KA5 O75582 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
LYN P07948 2/20 0.42
RET P07949 2/20 0.42
MET P08581 2/20 0.42
RPS6KB1 P23443 2/20 0.42
EPHA2 P29317 2/20 0.42

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
SCHEMBL13096862 0.86 MAOB (0.43) LCLAT1KDRCSF1RPDGFRBROCK2
SCHEMBL13097082 0.86 KDR (0.57) KDRCSF1RPDGFRBROCK2KIT
SCHEMBL1499248 0.83 KDR (0.53) LCLAT1KDRCSF1RPDGFRBLCK
SCHEMBL13097007 0.82 MEN1 (0.51) KDRCSF1RKITFLT1FLT4
SCHEMBL12322152 0.81 MMP9 (0.50) KDRLMNAKDM4EALDH1A1MAPT
SCHEMBL1499270 0.79 KDR (0.41) KDRCSF1RPDGFRBKITFGFR1
SCHEMBL12322989 0.78 KDR (0.60) KDRCSF1RROCK2KITFGFR1
SCHEMBL13097211 0.77 BRAF (0.54) KDRCSF1RPDGFRBROCK2KIT
SCHEMBL4232674 0.76 KDR (0.82) KDRCSF1RROCK2KITFGFR1
SCHEMBL13799953 0.76 LCLAT1 (0.52) LCLAT1KDRCSF1RPDGFRBROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LCLAT1 2119/4885KDR 6/4885CSF1R 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.