SCHEMBL426849

SCHEMBL426849

Cc1ccc(C(F)(F)C(F)(F)F)c(OCC2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
KDR P35968 3/20 0.45
FGFR1 P11362 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
ABL1 P00519 2/20 0.41
SRC P12931 2/20 0.41
ABL2 P42684 2/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RBP4 P02753 5/20 0.40
TTR P02766 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
RET P07949 4/20 0.37
KIF5B P33176 2/20 0.37
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37

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
SCHEMBL444815 0.86 NR1H2 (0.39) EGFRKDRFGFR1FLT1FLT4
SCHEMBL426723 0.86 HTT (0.54) EGFRKDRFGFR1FLT1FLT4
SCHEMBL1655800 0.82 ACHE (0.48) EGFRRBP4TTRHRH3MET
SCHEMBL18374088 0.78 SYK (0.47) HTTL3MBTL1RBP4TTR
SCHEMBL427897 0.78 NOS3 (0.39) EGFRKDRFGFR1FLT1FLT4
SCHEMBL13419330 0.78 EGFR (0.53) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3814357 0.78 EGFR (0.53) EGFRKDRFGFR1FLT1FLT4
SCHEMBL13861972 0.78 POLB (0.48) EGFRKDRFGFR1FLT1FLT4
SCHEMBL6230486 0.78 ACHE (0.44) RBP4TTRMAOAMAOBHRH3
SCHEMBL2031770 0.75 EGFR (0.44) EGFRKDRFGFR1FLT1FLT4

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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO EGFR 572/4885KDR 8/4885FGFR1 2424/4885

“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.