SCHEMBL5043484

SCHEMBL5043484

O=C(Cn1ccc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4COP(=O)(O)O)ccc23)n1)Nc1cccc(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
AURKA O14965 18/20 0.63
PDGFRB P09619 2/20 0.53
KIT P10721 2/20 0.53
PDGFRA P16234 2/20 0.53
CSF1R P07333 1/20 0.53
AURKB Q96GD4 7/20 0.51
RIPK2 O43353 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
CSNK2A2 P19784 1/20 0.40
RAB6A P20340 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MST1R Q04912 1/20 0.40
MAP2K5 Q13163 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
SCHEMBL5039248 0.91 AURKA (0.74) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL5044178 0.90 AURKA (0.65) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL2051936 0.89 CYP3A4 (0.81) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL2050566 0.89 CYP3A4 (0.81) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL5132087 0.89 AURKA (0.63) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL5132078 0.89 AURKA (0.63) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL3488299 0.86 AURKA (0.84) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL3489047 0.86 AURKA (0.84) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL3428112 0.85 CYP3A4 (0.74) CYP3A4AURKAPDGFRBKITPDGFRA
SCHEMBL3431130 0.85 CYP3A4 (0.74) CYP3A4AURKAPDGFRBKITPDGFRA

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 7 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
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 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 CYP3A4 3022/4885AURKA 4/4885PDGFRB 1330/4885

“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.