SCHEMBL429581

SCHEMBL429581

CN(C)CCOCCOc1cc(CNc2nc(F)ccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.47
KDR P35968 8/20 0.45
FLT1 P17948 5/20 0.45
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT4 P35916 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL14515269 0.92 RXFP1 (0.49) RXFP1KDRFLT1ABL1EGFR
SCHEMBL445350 0.79 KDM4E (0.36) RXFP1KDRFLT1AURKASYK
SCHEMBL427738 0.79 KDR (0.68) RXFP1KDRFLT1ABL1EGFR
SCHEMBL429893 0.78 KDR (0.52) KDRFLT1ABL1EGFRCSF1R
SCHEMBL445351 0.75 AURKA (0.38) AURKA
SCHEMBL464601 0.73 KDR (0.50) KDRFLT1ABL1EGFRCSF1R
SCHEMBL447800 0.72 KDR (0.52) RXFP1KDRFLT1ABL1EGFR
SCHEMBL445521 0.71 KDR (0.51) RXFP1KDRFLT1ABL1EGFR
SCHEMBL444428 0.71 HTR2A (0.60) RXFP1KDRMAPTMEN1ALDH1A1
SCHEMBL5900627 0.71 ABL1 (0.72) RXFP1KDRFLT1ABL1EGFR

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 7 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-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
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 RXFP1 1784/4885KDR 8/4885FLT1 11/4885

“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.