SCHEMBL5044674

SCHEMBL5044674

ClOCCCOc1ccc2c(Cl)ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDR P35968 3/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
ENPP1 P22413 2/20 0.40
LSS P48449 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
EGFR P00533 4/20 0.36
ILK Q13418 1/20 0.36
HTT P42858 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35

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
SCHEMBL1346309 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL28049940 0.86 ENPP1 (0.50) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL3424568 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL4512570 0.82 KDR (0.57) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL4514446 0.81 HRH3 (0.48) FGFR1LSSSRCALDH1A1
Benzene SCHEMBL28049942 0.81 ENPP1 (0.55) PDE4APDE4BPDE4CPDE4DKDR
Hydrochloric Acid SCHEMBL5566426 0.81 KDR (0.56) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL28049941 0.80 MAOA (0.50) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL30640012 0.80 ENPP1 (0.55) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL8147583 0.80 ENPP1 (0.55) PDE4APDE4BPDE4CPDE4DKDR

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 4 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 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 PDE4A 4142/4885PDE4B 4359/4885PDE4C 4003/4885

“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.