SCHEMBL3231634

SCHEMBL3231634

CC(F)(F)c1cc[n+]([O-])c(Oc2ccc(CCNc3ncnc4c(F)ccc(F)c34)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.35
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 1/20 0.34
▸ AURKA O14965 5/20 0.33
▸ NTRK1 P04629 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12340541 0.94 AURKA (0.36) TP53MAPTPOLBAURKANTRK1
SCHEMBL12340568 0.85 AURKA (0.35) TP53MAPTPOLBAURKANTRK1
SCHEMBL3217949 0.84 TP53 (0.37) TP53MAPTPOLBAURKANTRK1
SCHEMBL6523040 0.83 TP53 (0.38) TP53MAPTPOLBAURKANTRK1
SCHEMBL12340544 0.82 SMN1; SMN2 (0.43) TP53MAPTPOLBAURKANTRK1
SCHEMBL12340497 0.82 TP53 (0.35) TP53MAPTPOLBAURKANTRK1
SCHEMBL3214019 0.79 TP53 (0.38) TP53MAPTPOLBAURKANTRK1
SCHEMBL12340592 0.77 AURKA (0.35) TP53MAPTPOLBAURKANTRK1
SCHEMBL2558496 0.77 NPC1 (0.39) TP53AURKANTRK1HTTAURKB
SCHEMBL2555889 0.77 LMNA (0.39) TP53MAPTPOLBAURKANTRK1

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 8 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
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

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 TP53 121/4885MAPT 3085/4885POLB 1752/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A TP53 121/4885MAPT 3085/4885POLB 1752/4885

“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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