SCHEMBL20577892

SCHEMBL20577892

O=C(O)Nc1ccc(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.60
RXFP1 Q9HBX9 9/20 0.60
PTGS1 P23219 1/20 0.59
SLC2A1 P11166 1/20 0.58
P2RX4 Q99571 1/20 0.58
P2RX7 Q99572 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LCK P06239 2/20 0.58
KDR P35968 1/20 0.58
TEK Q02763 1/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 1/20 0.56
BTK Q06187 1/20 0.55
KCNK3 O14649 1/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL5437515 0.86 TLR8 (0.55) P2RX1PTGS1P2RX4P2RX7TMPRSS4
SCHEMBL30130682 0.84 MAPT (0.75) P2RX1SMN1; SMN2MAPTMEN1HTT
SCHEMBL2096025 0.84 MAPT (0.75) P2RX1SMN1; SMN2MAPTMEN1HTT
SCHEMBL25231718 0.84 MEN1 (0.67) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL29537581 0.84 MEN1 (0.67) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL5496719 0.84 RXFP1 (0.60) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL29448774 0.83 RXFP1 (0.71) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL19233279 0.83 RXFP1 (0.71) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL26075815 0.83 P2RX1 (0.59) P2RX1RXFP1PTGS1SLC2A1P2RX4
SCHEMBL17664332 0.82 GRIK1 (0.60) P2RX1RXFP1PTGS1SLC2A1P2RX4

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-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-10-03 US disclosed
EP-3412670-A1 PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2018-12-12 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-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof BRAF, KDR, RAF1 P2RX1 852/4885RXFP1 186/4885PTGS1 1195/4885

“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.