SCHEMBL12304875

SCHEMBL12304875

O=c1[nH]cnc2cc(CO)c(CO)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.53
PDPK1 O15530 1/20 0.50
CA12 O43570 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
IP6K1 Q92551 5/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
CHEK1 O14757 2/20 0.49
PIM1 P11309 2/20 0.49
ALDH1A1 P00352 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
SLC2A1 P11166 1/20 0.47
ROCK2 O75116 1/20 0.44

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
SCHEMBL12332880 0.92 PARP1 (0.46) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12304877 0.88 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12788028 0.88 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12788049 0.87 PARP1 (0.51) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12304872 0.87 PARP1 (0.51) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL256397 0.81 ROCK2 (0.50) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL22980875 0.76 IP6K1 (0.66) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL4066634 0.76 PARP1 (0.58) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL164053 0.76 PARP1 (0.62) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL13395634 0.75 IP6K1 (0.54) PARP1PDPK1CA12ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735410-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2014-05-27 US disclosed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 US disclosed
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 US disclosed
US-8318752-B2 antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases ASTRAZENECA AB (SE) 2012-11-27 US disclosed
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ASTRAZENECA AB (SE) 2011-09-29 US disclosed
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ASTRAZENECA AB (SE) 2011-09-29 US disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 US disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 US disclosed
US-7838530-B2 Quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2010-11-23 US disclosed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 EP disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
US-20080234263-A1 Quinazoline Derivatives ASTRAZENECA (SE) 2008-09-25 US disclosed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070037837-A1 Antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases;1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-L-prolinamide ASTRAZENECA AB (SE) 2007-02-15 US 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 (10 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR PARP1 873/4885PDPK1 217/4885CA12 3490/4885
US-20080234263-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 PARP1 1220/4885PDPK1 473/4885CA12 3382/4885
US-20110237610-A1 Quinazoline Derivatives as Antiproliferative Agents ERBB2, EGFR, MKI67 PARP1 774/4885PDPK1 308/4885CA12 4118/4885
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR PARP1 787/4885PDPK1 214/4885CA12 4228/4885
US-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 PARP1 1778/4885PDPK1 760/4885CA12 4085/4885
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR PARP1 787/4885PDPK1 214/4885CA12 4228/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 PARP1 186/4885PDPK1 870/4885CA12 4806/4885
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR PARP1 1997/4885PDPK1 305/4885CA12 4555/4885
US-20070037837-A1 Antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases;1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-L-prolinamide EGFR, ERBB2, ERBB3 PARP1 1668/4885PDPK1 451/4885CA12 4305/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 PARP1 1586/4885PDPK1 674/4885CA12 4037/4885

“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.