SCHEMBL3159804

SCHEMBL3159804

COc1cc(CNc2ncccc2C(=O)Nc2cccc(C(OCC3CCCN3)(C(F)(F)F)C(F)(F)F)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDR P35968 14/20 0.45
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
CSF1R P07333 2/20 0.40
PDGFRB P09619 2/20 0.40
KIT P10721 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40

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
SCHEMBL13417752 1.00 RXFP1 (0.45) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL13417757 0.93 KDR (0.49) MEN1MAPTKMT2AKDRABL1
SCHEMBL3156312 0.93 KDR (0.49) MEN1MAPTKMT2AKDRABL1
SCHEMBL13417751 0.90 KDR (0.57) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL3146966 0.90 KDR (0.57) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL446128 0.85 KDR (0.53) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5012043 0.83 MEN1 (0.43) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL4973509 0.83 MEN1 (0.43) RXFP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL3159580 0.82 KDR (0.44) MEN1MAPTKMT2AKDRAURKA
SCHEMBL13417754 0.82 KDR (0.64) KDRABL1EGFRCSF1RPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 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 (2 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC RXFP1 1565/4885MEN1 846/4885MAPT 4232/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC RXFP1 1565/4885MEN1 846/4885MAPT 4232/4885

“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.