SCHEMBL4734104

SCHEMBL4734104

CN(C)CCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(Oc2ncccc2-c2cnco2)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.72
KDR P35968 6/20 0.72
LCK P06239 2/20 0.71
NTRK1 P04629 2/20 0.71
EGFR P00533 2/20 0.71
AURKA O14965 1/20 0.71
ABL1 P00519 1/20 0.71
INSR P06213 1/20 0.71
FES P07332 1/20 0.71
CSF1R P07333 1/20 0.71
LYN P07948 1/20 0.71
RET P07949 1/20 0.71
IGF1R P08069 1/20 0.71
MET P08581 1/20 0.71
PDGFRB P09619 1/20 0.71
FGR P09769 1/20 0.71
SRC P12931 1/20 0.71
AKT1 P31749 1/20 0.71
CSK P41240 1/20 0.71
ZAP70 P43403 1/20 0.71

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
SCHEMBL12543704 0.85 TEK (0.72) TEKKDRLCKNTRK1EGFR
SCHEMBL1265313 0.84 TEK (0.78) TEKKDRLCKNTRK1EGFR
SCHEMBL1265824 0.83 TEK (1.00) TEKKDRLCKNTRK1EGFR
SCHEMBL1264383 0.83 TEK (1.00) TEKKDRLCKNTRK1EGFR
SCHEMBL1265011 0.80 TEK (0.71) TEKKDRLCKNTRK1EGFR
SCHEMBL1265034 0.79 TEK (0.92) TEKKDRLCKNTRK1EGFR
SCHEMBL1265456 0.79 TEK (0.70) TEKKDRLCKNTRK1EGFR
SCHEMBL1265791 0.78 TEK (0.90) TEKKDRLCKNTRK1EGFR
SCHEMBL1264710 0.78 TEK (0.90) TEKKDRLCKNTRK1EGFR
SCHEMBL1265430 0.78 TEK (0.90) TEKKDRLCKNTRK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US claimed
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 WO disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 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 (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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 TEK 11/4885KDR 4/4885LCK 409/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK TEK 3/4885KDR 5/4885LCK 275/4885

“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.