SCHEMBL5044178

SCHEMBL5044178

COc1cc2c(Nc3ccn(CC(=O)Nc4cccc(F)c4F)n3)ncnc2cc1OCCCN1CCC[C@@H]1COP(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.65
AURKB Q96GD4 4/20 0.65
CYP3A4 P08684 1/20 0.57
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
RET P07949 1/20 0.45
KIF5B P33176 1/20 0.45

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
SCHEMBL5043688 0.92 AURKA (0.76) AURKAAURKBCSF1RPDGFRBKIT
SCHEMBL5043023 0.90 AURKA (0.64) AURKAAURKBCYP3A4PDGFRB
SCHEMBL3429987 0.90 AURKA (0.64) AURKAAURKBCYP3A4PDGFRB
SCHEMBL5043484 0.90 CYP3A4 (0.65) AURKAAURKBCYP3A4CSF1RPDGFRB
SCHEMBL5132578 0.90 AURKA (0.66) AURKAAURKBRETKIF5B
SCHEMBL3429450 0.90 CYP3A4 (0.71) AURKAAURKBCYP3A4CSF1RPDGFRB
SCHEMBL3431135 0.90 CYP3A4 (0.71) AURKAAURKBCYP3A4CSF1RPDGFRB
SCHEMBL5132574 0.89 AURKA (0.65) AURKAAURKBRETKIF5B
SCHEMBL3488488 0.87 AURKA (0.85) AURKAAURKB
SCHEMBL3424521 0.87 CYP3A4 (0.67) AURKAAURKBCYP3A4CSF1RPDGFRB

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 16/4885CYP3A4 3022/4885

“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.