SCHEMBL9303626

SCHEMBL9303626

Fc1cccc2c(NCCc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ncnc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 1/20 0.48
▸ PLAAT5 Q96KN8 1/20 0.48
▸ PLAAT2 Q9NWW9 1/20 0.48
▸ PLAAT4 Q9UL19 1/20 0.48
▸ AURKA O14965 5/20 0.45
▸ RPS6KB1 P23443 3/20 0.45
▸ LIPE Q05469 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ SCN9A Q15858 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ APP P05067 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL13456925 0.87 AURKA (0.48) AURKARPS6KB1MAPK1LMNAMAPT
SCHEMBL2551499 0.87 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4LIPE
SCHEMBL12340671 0.86 AURKA (0.44) AURKARPS6KB1AURKBMAPK1LMNA
SCHEMBL15684803 0.85 HTT (0.56) PLAAT3PLAAT5PLAAT2PLAAT4AURKA
SCHEMBL12340673 0.85 OPRM1 (0.55) AURKARPS6KB1MAPK1LMNAMAPT
SCHEMBL9304608 0.83 LIPE (0.43) PLAAT3PLAAT5PLAAT2PLAAT4LIPE
SCHEMBL12340569 0.82 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4LIPE
SCHEMBL9382403 0.82 AURKA (0.51) AURKARPS6KB1AURKBMAPK1LMNA
SCHEMBL8542072 0.82 AURKA (0.53) AURKARPS6KB1MAPK1LMNAMAPT
SCHEMBL9388115 0.81 AURKA (0.42) AURKARPS6KB1AURKBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000162-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES LLC (US) 2015-04-07 — — US disclosed
US-9000162-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES LLC (US) 2015-04-07 — — US disclosed
US-20130017950-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-01-17 — — US disclosed
US-20130017950-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-01-17 — — US disclosed
US-8268843-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2012-09-18 — — US disclosed
US-8268843-B2 5,8-difluoro-4-(2-(4-(heteroaryloxy)-phenyl)ethylamino)quinazolines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2012-09-18 — — US disclosed
WO-2010025451-A2 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2010-03-04 — — WO disclosed
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2010-03-04 — — US disclosed
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2010-03-04 — — US disclosed
US-5326766-A Fungicide, nematocide, insecticide, miticide DOWELANCO 1994-07-05 — — US disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 — — 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-20130017950-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A PLAAT3 877/4885PLAAT5 533/4885PLAAT2 1202/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A PLAAT3 877/4885PLAAT5 533/4885PLAAT2 1202/4885

“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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