SCHEMBL142111

SCHEMBL142111

O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)c3c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 14/20 0.68
ABL1 P00519 4/20 0.68
INSR P06213 4/20 0.68
PDGFRB P09619 4/20 0.68
CDK2 P24941 4/20 0.68
PLK1 P53350 3/20 0.68
HDAC3 O15379 3/20 0.68
HDAC4 P56524 3/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC7 Q8WUI4 3/20 0.68
HDAC2 Q92769 3/20 0.68
HDAC10 Q969S8 3/20 0.68
HDAC11 Q96DB2 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
HDAC9 Q9UKV0 3/20 0.68
HDAC5 Q9UQL6 3/20 0.68
MEN1 O00255 1/20 0.59
PIK3C2B O00750 1/20 0.59

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
SCHEMBL3326173 0.92 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3321634 0.91 EGFR (0.69) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL29387336 0.91 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL142106 0.91 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12719625 0.91 EGFR (0.66) EGFRERBB2ABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL2511570 0.90 EGFR (0.78) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3320362 0.90 EGFR (0.72) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3004266 0.89 EGFR (0.70) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4717305 0.88 EGFR (0.55) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4718954 0.88 EGFR (0.54) EGFRERBB2ABL1INSRPDGFRB

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 47 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
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
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
US-20030220354-A1 Quinazoline ditosylate salt compounds NOVARTIS AG (CH) 2003-11-27 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
EP-1294715-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-03-26 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-2002002552-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-01-10 WO 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 EGFR 433/4885ERBB2 535/4885ABL1 18/4885
US-20120058113-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885ABL1 25/4885
US-20110312982-A1 Cancer Treatment Method HNMT, TP53, TUBB4A EGFR 354/4885ERBB2 395/4885ABL1 28/4885
US-20150366868-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885ABL1 25/4885
US-20040053946-A1 Cancer treatment method TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885ABL1 25/4885
US-20100249160-A1 Cancer Treatment Method TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885ABL1 25/4885
US-20030220354-A1 Quinazoline ditosylate salt compounds ERBB4, ABL1, ERBB2 EGFR 64/4885ERBB2 3/4885ABL1 2/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 EGFR 718/4885ERBB2 446/4885ABL1 141/4885

“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.