SCHEMBL3056830

SCHEMBL3056830

CC(C)(C)C(=O)OCn1cnc2cccc(O)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 11/20 0.40
LMNA P02545 3/20 0.36
TRPA1 O75762 1/20 0.36
RECQL P46063 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL3056568 0.86 ALDH1A1 (0.43) HSD17B13
SCHEMBL6589975 0.81 SMN1; SMN2 (0.53) LMNARECQLMAPK10SMN1; SMN2HTT
SCHEMBL21177886 0.81 LMNA (0.35) HSD17B13LMNANPSR1
SCHEMBL1012831 0.80 ESR2 (0.52) NPSR1NPC1
SCHEMBL3282947 0.80 HDAC6 (0.38) HSD17B13
SCHEMBL3178090 0.80 PRKCA (0.42) LMNAHTTNPSR1NPC1
SCHEMBL13646422 0.78 TNF (0.56) LMNASMN1; SMN2HTTNPSR1
SCHEMBL5565180 0.76 TNF (0.43) LMNARECQLMAPK10SMN1; SMN2HTT
SCHEMBL5500566 0.76 ESR1 (0.47) LMNASMN1; SMN2HTTNPSR1
SCHEMBL27221551 0.74 TNF (0.32) HSD17B13NPSR1

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 16 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
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
WO-2007063293-A1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2007-06-07 WO disclosed
WO-2007063291-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2007-06-07 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 HSD17B13 4111/4885LMNA 3904/4885TRPA1 3626/4885
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 HSD17B13 3930/4885LMNA 4418/4885TRPA1 3182/4885
US-20090029968-A1 QUINAZOLINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ERBB2, ABL1, ERBB3 HSD17B13 3760/4885LMNA 4649/4885TRPA1 3568/4885
US-20100222344-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, ERBB4 HSD17B13 3817/4885LMNA 4488/4885TRPA1 2769/4885
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 HSD17B13 4560/4885LMNA 3173/4885TRPA1 3622/4885

“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.