SCHEMBL4782834

SCHEMBL4782834

Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Oc1ncccc1-c1cnn(Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.64
TEK Q02763 15/20 0.64
ALDH1A1 P00352 1/20 0.45
YES1 P07947 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
BRAF P15056 1/20 0.43
DDR2 Q16832 1/20 0.42

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
SCHEMBL4783868 0.81 KDR (0.72) KDRTEKYES1BRAFDDR2
SCHEMBL1264967 0.77 KDR (0.71) KDRTEKYES1BRAF
SCHEMBL12542963 0.77 KDR (0.67) KDRTEKYES1BRAFDDR2
SCHEMBL1264048 0.76 TEK (0.75) KDRTEKYES1BRAF
SCHEMBL1264649 0.75 TEK (1.00) KDRTEKYES1
SCHEMBL1265774 0.75 TEK (0.84) KDRTEKYES1BRAF
SCHEMBL1264319 0.74 KDR (1.00) KDRTEKYES1
SCHEMBL1266008 0.74 KDR (0.76) KDRTEKYES1
SCHEMBL1263938 0.74 TEK (0.81) KDRTEKYES1BRAF
SCHEMBL1265089 0.72 KDR (0.70) KDRTEKALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US claimed
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-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
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 KDR 4/4885TEK 11/4885ALDH1A1 2471/4885
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 KDR 5/4885TEK 3/4885ALDH1A1 2824/4885

“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.