SCHEMBL143579

SCHEMBL143579

Nc1ccc(OCc2cccc(F)c2)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 1/20 0.51
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
SLC6A4 P31645 3/20 0.49
HTR6 P50406 1/20 0.49
F2 P00734 1/20 0.47
HTR2C P28335 1/20 0.46

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
SCHEMBL3321494 0.85 MAOB (0.65) MAOBCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL24686580 0.83 MAOB (0.56) MAOBIDO1AGXTSLC6A4
SCHEMBL2877893 0.83 RAB9A (0.56) MAOBMAPTF2
SCHEMBL29514868 0.82 MAOB (0.61) MAOBIDO1AGXT
SCHEMBL1406384 0.82 MAOB (0.61) MAOBCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL156718 0.82 MAOB (0.61) MAOBIDO1AGXT
SCHEMBL29388015 0.82 MAOB (0.61) MAOBIDO1AGXT
Hydrochloric Acid SCHEMBL7983144 0.81 RAB9A (0.55) MAOBMAPTF2
SCHEMBL28337440 0.81 MAOB (0.58) MAOBCYP1A2CYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL216004 0.81 MAOB (0.62) MAOBIDO1AGXT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366868-A1 CANCER TREATMENT METHOD NOVARTIS AG (CH) 2015-12-24 US disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-8444988-B2 Cancer treatment method GLAXOSMITHKLINE LLC (US) 2013-05-21 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
EP-2448409-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2012-05-09 EP disclosed
US-20120058113-A1 CANCER TREATMENT METHOD NOVARTIS AG (CH) 2012-03-08 US disclosed
US-20110312982-A1 Cancer Treatment Method NOVARTIS AG (CH) 2011-12-22 US disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 WO disclosed
US-20100249160-A1 Cancer Treatment Method LEO OSPREY LIMITED (GB) 2010-09-30 US disclosed
US-20100010022-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 US disclosed
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine COCKERILL GEORGE S (GB) 2005-06-30 US disclosed
EP-1353693-B1 PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND PACLITAXEL, CARBOPLATIN OR VINORELBINE FOR THE TREATMENT OF CANCER GLAXO GROUP LTD (GB) 2005-03-16 EP disclosed
EP-1512413-A2 Pharmaceutical combination containing a 4-quinazolineamine and another anti-neoplastic agent for the treatment of cancer GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed
EP-1488809-A1 Pharmaceutical combination containing a 4-quinazolineamine and another anti-neoplastic agent for the treatment of cancer GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
US-20040053946-A1 Cancer treatment method NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1353693-A2 PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT FOR THE TREATMENT OF CANCER GLAXO GROUP LIMITED (GB) 2003-10-22 EP disclosed
WO-2002056912-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT GLAXO GROUP LIMITED (GB) 2002-07-25 WO disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 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 (8 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-20100010022-A1 CANCER TREATMENT METHOD TP53, TYMP, TOP2A MAOB 1253/4885CYP1A2 364/4885CYP3A4 132/4885
US-20120058113-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B MAOB 923/4885CYP1A2 639/4885CYP3A4 308/4885
US-20110312982-A1 Cancer Treatment Method HNMT, TP53, TUBB4A MAOB 856/4885CYP1A2 745/4885CYP3A4 291/4885
US-20150366868-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B MAOB 923/4885CYP1A2 639/4885CYP3A4 308/4885
US-20040053946-A1 Cancer treatment method TP53, HNMT, TOP2B MAOB 923/4885CYP1A2 639/4885CYP3A4 308/4885
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine ABL1, ERBB2, ERBB4 MAOB 1566/4885CYP1A2 2656/4885CYP3A4 1517/4885
US-20100249160-A1 Cancer Treatment Method TP53, HNMT, TOP2B MAOB 923/4885CYP1A2 639/4885CYP3A4 308/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 MAOB 4771/4885CYP1A2 4077/4885CYP3A4 3767/4885

“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.