SCHEMBL3056568

SCHEMBL3056568

COc1cccc2ncn(COC(=O)C(C)(C)C)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HSD17B13 Q7Z5P4 2/20 0.42
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40
TNF P01375 5/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3056830 0.86 HSD17B13 (0.40) HSD17B13
SCHEMBL3282947 0.85 HDAC6 (0.38) ALDH1A1HSD17B13POLBTDP1TNF
SCHEMBL6589975 0.79 SMN1; SMN2 (0.53) ALDH1A1POLBKMT2AGAA
SCHEMBL31359039 0.76 POLB (0.47) ALDH1A1HSD17B13POLBTDP1TP53
SCHEMBL666304 0.76 HDAC6 (0.54) ALDH1A1POLBTDP1TNFKMT2A
SCHEMBL1012831 0.76 ESR2 (0.52) POLBTNFKMT2AGAAHDAC6
SCHEMBL3177738 0.76 TNF (0.39) POLBTNFKMT2AGAAHDAC6
SCHEMBL663991 0.74 HDAC6 (0.54) ALDH1A1POLBTP53TNFKMT2A
SCHEMBL3177791 0.73 ESR2 (0.42) HSD17B13POLBTNFGAAHDAC6
SCHEMBL21177886 0.72 LMNA (0.35) HSD17B13POLBTNFGAAHDAC6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-7820683-B2 4-(1H-indazol-5-yl-amino)-quinazoline compounds as erbB receptor tyrosine kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2010-10-26 US disclosed
US-20100222344-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB 2010-09-02 US disclosed
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
EP-1960371-B1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-02-19 US disclosed
US-20090029968-A1 QUINAZOLINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-1960371-A1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE AstraZeneca AB (SE) 2008-08-27 EP disclosed
EP-1957499-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-08-20 EP disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
EP-1928861-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-06-11 EP disclosed
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
WO-2007063291-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2007-06-07 WO disclosed
WO-2007063293-A1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2007-06-07 WO disclosed
WO-2007034144-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 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 (5 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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 ALDH1A1 2014/4885HSD17B13 4111/4885POLB 1601/4885
US-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 ALDH1A1 1702/4885HSD17B13 3930/4885POLB 3086/4885
US-20090029968-A1 QUINAZOLINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ERBB2, ABL1, ERBB3 ALDH1A1 2441/4885HSD17B13 3760/4885POLB 2149/4885
US-20100222344-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, ERBB4 ALDH1A1 1852/4885HSD17B13 3817/4885POLB 2169/4885
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 ALDH1A1 3782/4885HSD17B13 4560/4885POLB 3203/4885

“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.