SCHEMBL449101

SCHEMBL449101

CC(=O)N1Cc2cc(NC(=O)c3cccnc3F)ccc2C(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 1/20 0.40
ABL1 P00519 2/20 0.40
CIT O14578 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
FGR P09769 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 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
SCHEMBL445073 0.87 NR1H2 (0.41) LCLAT1ABL1CITMAP3K7RIPK2
SCHEMBL5428248 0.82 NOTUM (0.45) LCLAT1ABL1CITMAP3K7RIPK2
SCHEMBL445456 0.81 KDR (0.65) ABL1CITMAP3K7RIPK2STK10
SCHEMBL3960148 0.80 BLK (0.43) ABL1CITMAP3K7RIPK2STK10
SCHEMBL3890961 0.78 KDR (0.56) ABL1CITMAP3K7RIPK2STK10
SCHEMBL3960084 0.78 EGFR (0.41) ABL1CITMAP3K7RIPK2STK10
SCHEMBL5416128 0.77 KDR (0.48) ABL1CITMAP3K7RIPK2STK10
SCHEMBL5423438 0.77 SMN1; SMN2 (0.40) LCLAT1ABL1CITMAP3K7RIPK2
SCHEMBL4976716 0.77 NPY5R (0.42) LCLAT1ABL1CITMAP3K7RIPK2
SCHEMBL4975706 0.76 KDR (0.47) ABL1CITMAP3K7RIPK2STK10

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 37 patents — showing the first 20. 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO 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 (9 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 LCLAT1 1273/4885ABL1 547/4885CIT 2898/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LCLAT1 1634/4885ABL1 179/4885CIT 3644/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LCLAT1 1316/4885ABL1 993/4885CIT 2981/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LCLAT1 1182/4885ABL1 820/4885CIT 3520/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LCLAT1 1634/4885ABL1 179/4885CIT 3644/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LCLAT1 2859/4885ABL1 193/4885CIT 1281/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LCLAT1 1634/4885ABL1 179/4885CIT 3644/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LCLAT1 2859/4885ABL1 193/4885CIT 1281/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LCLAT1 1182/4885ABL1 820/4885CIT 3520/4885

“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.