SCHEMBL3188022

SCHEMBL3188022

O=C(Cc1cc(NC(=O)C(F)(F)F)n[nH]1)Nc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ AURKA O14965 9/20 0.47
▸ AURKB Q96GD4 6/20 0.47
▸ CSF1R P07333 3/20 0.44
▸ PDGFRB P09619 3/20 0.44
▸ KIT P10721 3/20 0.44
▸ PDGFRA P16234 3/20 0.44
▸ RET P07949 3/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ LYN P07948 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ CSNK2A2 P19784 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ MST1R Q04912 2/20 0.44
▸ MAP2K5 Q13163 2/20 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
SCHEMBL3177749 0.81 AURKA (0.45) AURKAAURKBMAP4K4MAP4K5PLK4
SCHEMBL29536743 0.80 MEN1 (0.56) MEN1KMT2AAURKAAURKBCSF1R
SCHEMBL3187182 0.80 MEN1 (0.56) MEN1KMT2AAURKAAURKBCSF1R
SCHEMBL19263436 0.80 KMT2A (0.56) MEN1KMT2AAURKACSF1RRET
SCHEMBL12523207 0.77 RAB9A (0.46) KMT2ARAB9AALDH1A1
SCHEMBL12523206 0.76 PDK1 (0.46) LCKCDK7TNIKNPC1RAB9A
SCHEMBL12455609 0.76 FLT3 (0.51) MEN1KMT2AAURKAAURKBCSF1R
SCHEMBL23501088 0.76 KMT2A (0.39) MEN1KMT2AAURKAAURKBCSF1R
SCHEMBL29659984 0.75 L3MBTL1 (0.67) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL5546915 0.75 L3MBTL1 (0.67) MEN1KMT2AMTORNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 — — US disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 — — US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 — — US disclosed
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 — — US disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 — — US disclosed
US-8268841-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2012-09-18 — — US disclosed
WO-2010144338-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — WO disclosed
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2010-03-18 — — US disclosed
US-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-01-28 — — US disclosed
US-7528121-B2 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2009-05-05 — — US disclosed
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 — — EP disclosed
EP-1836191-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-09-26 — — EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 — — EP disclosed
WO-2006067391-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 — — US disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 — — EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 — — 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 (6 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-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER CCNI, MKI67, TP53 MEN1 607/4885KMT2A 2505/4885AURKA 317/4885
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MEN1 1577/4885KMT2A 3116/4885AURKA 220/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 MEN1 748/4885KMT2A 1309/4885AURKA 492/4885
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MEN1 1577/4885KMT2A 3116/4885AURKA 220/4885
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate AURKA, AURKC, AURKB MEN1 1530/4885KMT2A 370/4885AURKA 1/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 MEN1 3798/4885KMT2A 2859/4885AURKA 3741/4885

“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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