SCHEMBL13096865

SCHEMBL13096865

Cn1ncc2c(-c3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc3F)cncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.57
AURKB Q96GD4 2/20 0.57
LCK P06239 2/20 0.57
FYN P06241 2/20 0.57
CSF1R P07333 2/20 0.57
LYN P07948 2/20 0.57
KIT P10721 2/20 0.57
SRC P12931 2/20 0.57
FLT1 P17948 2/20 0.57
FLT4 P35916 2/20 0.57
BLK P51451 2/20 0.57
DYRK3 O43781 1/20 0.57
JAK2 O60674 1/20 0.57
ROCK2 O75116 1/20 0.57
MAP4K4 O95819 1/20 0.57
EGFR P00533 1/20 0.57
INSR P06213 1/20 0.57
RET P07949 1/20 0.57
MET P08581 1/20 0.57
FGFR1 P11362 1/20 0.57

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
SCHEMBL13873325 0.93 NTRK1 (0.57) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13096864 0.91 LCK (0.57) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13873086 0.90 NTRK1 (0.59) NTRK1AURKBLCKFYNCSF1R
SCHEMBL3842232 0.89 KIT (0.70) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13096655 0.89 DDR2 (0.52) LCKCSF1RKITSRCHTR2A
SCHEMBL13873272 0.89 NTRK1 (0.57) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13096661 0.88 NTRK1 (0.61) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13873390 0.86 HTR2A (0.60) NTRK1AURKBLCKFYNCSF1R
SCHEMBL3847135 0.86 KIT (0.57) NTRK1AURKBLCKFYNCSF1R
SCHEMBL13910148 0.86 NTRK1 (0.56) NTRK1AURKBLCKFYNCSF1R

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 1 patent. 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

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 NTRK1 2085/4885AURKB 1213/4885LCK 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.