SCHEMBL1805702

SCHEMBL1805702

COc1cc2[nH]cnc(=O)c2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IDO1 P14902 3/20 0.38
▸ SRC P12931 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37

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
SCHEMBL2002754 0.87 KDM4E (0.46) QPCTKDM4EHPGDSRCGRIN2D
SCHEMBL24392618 0.83 KDM4E (0.43) QPCTKDM4EHPGDSRCGRIN2D
SCHEMBL16432412 0.83 GRIN2D (0.51) KDM4EHPGDMTNR1AMTNR1BSRC
SCHEMBL4565100 0.81 BCL2 (0.44) QPCTKDM4EHPGDAPEX1SRC
Hydrochloric Acid SCHEMBL28068007 0.81 GRIN2D (0.50) KDM4EHPGDMTNR1AMTNR1BSRC
SCHEMBL14699028 0.81 SRC (0.40) QPCTCYP1A2KDM4ECYP2D6CYP3A4
Bromide SCHEMBL2051879 0.80 BCL2 (0.43) QPCTKDM4EHPGDAPEX1SRC
SCHEMBL202254 0.80 TNFSF11 (0.50) QPCTKDM4EHSD17B10HPGDMTNR1A
SCHEMBL4430431 0.80 TNFSF11 (0.50) QPCTKDM4EHSD17B10HPGDMTNR1A
SCHEMBL30822504 0.79 GRIN2D (0.51) KDM4EHPGDMTNR1AMTNR1BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 — — US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 — — EP disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 — — US disclosed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 — — EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 — — US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 — — US disclosed
EP-2155656-A2 PROCESS FOR THE PREPARATION OF GEFITINIB Cipla Limited (IN) 2010-02-24 — — EP disclosed
WO-2008125867-A2 PROCESS FOR THE PREPARATION OF GEFITINIB CIPLA LIMITED (IN) 2008-10-23 — — WO disclosed
EP-1904458-A1 METHOD FOR THE PRODUCTION OF QUINAZOLINONE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-02 — — EP disclosed
WO-2007003486-A1 METHOD FOR THE PRODUCTION OF QUINAZOLINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 — — WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 — — EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 — — US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 — — EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 — — 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-20100137586-A1 Process for the Preparation of Gefitinib EGFR, BRAF, KRAS QPCT 782/4885CYP1A2 304/4885KDM4E 1987/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR QPCT 691/4885CYP1A2 181/4885KDM4E 2677/4885

“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.

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