SCHEMBL5043069

SCHEMBL5043069

CCCN(CCO)CCCOc1ccc2c(Nc3ccn(CC(=O)Nc4cccc(F)c4F)n3)ncnc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.72
AURKB Q96GD4 11/20 0.66
EGFR P00533 4/20 0.52
KDR P35968 4/20 0.52
BRAF P15056 2/20 0.52
RIPK2 O43353 2/20 0.52
LCK P06239 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
HCK P08631 2/20 0.52
PDGFRB P09619 2/20 0.52
KIT P10721 2/20 0.52
PDGFRA P16234 2/20 0.52
CSNK2A2 P19784 2/20 0.52
FLT3 P36888 2/20 0.52
MST1R Q04912 2/20 0.52
MAP2K5 Q13163 2/20 0.52
AURKC Q9UQB9 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
PLK4 O00444 1/20 0.52

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
SCHEMBL5039274 0.89 AURKA (0.74) AURKAAURKBEGFRKDR
SCHEMBL5039096 0.88 AURKA (0.72) AURKAAURKBEGFRKDRBRAF
SCHEMBL5491653 0.88 AURKA (0.62) AURKAAURKBEGFRKDRBRAF
SCHEMBL2051829 0.88 AURKA (0.68) AURKAAURKBEGFRKDRBRAF
Hydrochloric Acid SCHEMBL5039682 0.86 AURKA (0.53) AURKAAURKBEGFRKDRBRAF
SCHEMBL6027709 0.86 AURKA (0.71) AURKAAURKBEGFRKDRBRAF
SCHEMBL3431132 0.85 AURKA (0.64) AURKAAURKBEGFRKDRBRAF
SCHEMBL16568694 0.84 AURKA (0.72) AURKAAURKBEGFRKDRBRAF
SCHEMBL2053257 0.84 AURKA (0.68) AURKAAURKBEGFRKDRBRAF
SCHEMBL3489868 0.84 AURKA (1.00) AURKAAURKBEGFRKDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1635837-B1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2008-07-16 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20060135541-A1 (3-((Quinazolin-4-yl) amino)-1h-pyrazol-1-yl)acetamide derivatives and related compounds as aurora kinase inhibitors for the treatment of proliferative diseases such as cancer ASTRAZENECA AB (SE) 2006-06-22 US claimed
EP-1635837-B1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
US-20060135541-A1 (3-((Quinazolin-4-yl) amino)-1h-pyrazol-1-yl)acetamide derivatives and related compounds as aurora kinase inhibitors for the treatment of proliferative diseases such as cancer ASTRAZENECA AB (SE) 2006-06-22 US disclosed
EP-1635837-A1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004105764-A1 (3- ((QUINAZOLIN-4-YL) AMINO )-1H-PYRAZOL-1-YL) ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2004-12-09 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 AURKA 3126/4885AURKB 2837/4885EGFR 2445/4885
US-20060135541-A1 (3-((Quinazolin-4-yl) amino)-1h-pyrazol-1-yl)acetamide derivatives and related compounds as aurora kinase inhibitors for the treatment of proliferative diseases such as cancer CDK19, CDK16, AURKC AURKA 4/4885AURKB 16/4885EGFR 1014/4885

“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.