SCHEMBL1728634

SCHEMBL1728634

CCS(=O)(=O)O.O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)N1CC(O)C1

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 7/20 0.68
PDGFRB known ✓ P09619 1/20 0.56
FGFR1 known ✓ P11362 1/20 0.44
FLT1 known ✓ P17948 1/20 0.44
FLT4 known ✓ P35916 1/20 0.44
MET P08581 17/20 0.68
NTRK1 P04629 3/20 0.68
TEK Q02763 2/20 0.68
NTRK3 Q16288 1/20 0.68
NTRK2 Q16620 1/20 0.68
RIPK2 O43353 2/20 0.56
ABL1 P00519 2/20 0.56
LCK P06239 2/20 0.56
LYN P07948 2/20 0.56
RET P07949 2/20 0.56
HCK P08631 2/20 0.56
BCR P11274 2/20 0.56
EPHA2 P29317 2/20 0.56
FLT3 P36888 2/20 0.56
ABL2 P42684 2/20 0.56

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
SCHEMBL1727515 0.96 MET (0.71) METKDRNTRK1TEKNTRK3
Sulfuric Acid SCHEMBL5133938 0.96 MET (0.72) METKDRNTRK1TEKNTRK3
SCHEMBL1728382 0.94 MET (0.76) METKDRNTRK1TEKNTRK3
Hydrochloric Acid SCHEMBL1728468 0.93 MET (0.75) METKDRNTRK1TEKNTRK3
Bromide SCHEMBL4247685 0.93 MET (0.75) METKDRNTRK1TEKNTRK3
SCHEMBL1728676 0.91 MET (0.64) METKDRNTRK1TEKNTRK3
SCHEMBL4250644 0.91 MET (0.65) METKDRNTRK1TEKNTRK3
SCHEMBL1728635 0.89 MET (0.67) METKDRNTRK1TEKNTRK3
SCHEMBL1727517 0.89 MET (0.69) METKDRNTRK1TEKNTRK3
SCHEMBL2253535 0.88 MET (0.74) METKDRNTRK1TEKNTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377938-B2 Phenoxypyridine derivative salts and crystals thereof, and process for preparing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-19 US disclosed
WO-2009142896-A3 LANDSCAPE EDGING SYSTEM WINK JOHN (US) 2012-05-10 WO disclosed
EP-2062886-B1 SALT OF PHENOXYPYRIDINE DERIVATIVE OR CRYSTAL THEREOF AND PROCESS FOR PRODUCING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-30 EP disclosed
EP-2062886-A1 SALT OF PHENOXYPYRIDINE DERIVATIVE OR CRYSTAL THEREOF AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 EP disclosed
US-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME EISAI R&D MANAGEMENT CO., LTD (JP) 2008-12-25 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-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME HGF, MET, FLT1 KDR 9/4885PDGFRB 18/4885FGFR1 5/4885

“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.