SCHEMBL5043450

SCHEMBL5043450

COc1cc2c(Nc3ccn(CC(=O)Nc4cccc(F)c4)n3)ncnc2cc1OCCCN1CCC[C@@H]1CO

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.76
AURKB Q96GD4 5/20 0.76
KDR P35968 2/20 0.58
EGFR P00533 1/20 0.58
IGF1R P08069 1/20 0.58
FGFR1 P11362 1/20 0.58
SRC P12931 1/20 0.58
FGFR2 P21802 1/20 0.58
FGFR4 P22455 1/20 0.58
FGFR3 P22607 1/20 0.58
CDK2 P24941 1/20 0.58
CSK P41240 1/20 0.58
JAK3 P52333 1/20 0.58
PTK2 Q05397 1/20 0.58
PDGFRB P09619 1/20 0.57
FLT4 P35916 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL5132903 0.93 AURKA (0.66) AURKAAURKBKDREGFRIGF1R
SCHEMBL5132902 0.92 AURKA (0.65) AURKAAURKBKDREGFRIGF1R
SCHEMBL3429981 0.92 AURKA (0.65) AURKAAURKBKDREGFRIGF1R
SCHEMBL5043023 0.92 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL3429987 0.92 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL6027924 0.91 AURKA (0.75) AURKAAURKBKDREGFRIGF1R
SCHEMBL5043688 0.89 AURKA (0.76) AURKAAURKBPDGFRB
SCHEMBL3429837 0.89 AURKA (0.81) AURKAAURKBKDREGFRIGF1R
SCHEMBL3431187 0.89 AURKA (0.81) AURKAAURKBKDREGFRIGF1R
SCHEMBL5039292 0.89 AURKA (0.74) AURKAAURKBKDREGFRCSK

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
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-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 (1 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-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 16/4885KDR 1911/4885

“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.