SCHEMBL4295596

SCHEMBL4295596

COc1cc(O)c2c(O)ncnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP3A4 P08684 3/20 0.44
EGFR P00533 2/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
SRC P12931 1/20 0.38
MAOA P21397 3/20 0.38
MGAM O43451 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL3429136 0.84 SRC (0.49) ESR1ESR2CYP3A4EGFRCYP1A1
SCHEMBL15900305 0.83 EGFR (0.39) ESR1ESR2EGFRCYP1A1CYP1B1
Hydrochloric Acid SCHEMBL28048193 0.81 EGFR (0.38) ESR1ESR2EGFRCYP1A1CYP1B1
SCHEMBL147848 0.71 EGFR (0.54) EGFRMAPT
SCHEMBL21219055 0.71 EGFR (0.41) EGFRCYP1A1CYP1B1HPGDALDH1A1
SCHEMBL30946641 0.71 EGFR (0.41) EGFRCYP1A1CYP1B1HPGDALDH1A1
Hydrochloric Acid SCHEMBL28034141 0.70 EGFR (0.52) EGFRMAPT
SCHEMBL1012534 0.70 ESR2 (0.52) ESR1ESR2CYP3A4MAOAPTGS1
SCHEMBL3277072 0.70 SRC (0.57) EGFRSRCHPGDALDH1A1MAPT
SCHEMBL3274759 0.70 SRC (0.77) SRC

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-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB ESR1 3666/4885ESR2 2971/4885CYP3A4 2302/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB ESR1 3057/4885ESR2 2577/4885CYP3A4 2697/4885

“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.