SCHEMBL12340523

SCHEMBL12340523

Fc1ccc(F)c2c(NCCc3cccc(Oc4cc(C(F)(F)F)ccn4)c3)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ FAAH O00519 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GSK3B P49841 1/20 0.37
▸ MAP2K7 O14733 4/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ AURKA O14965 4/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ PRKCG P05129 2/20 0.36
▸ PRKCB P05771 2/20 0.36
▸ PRKCA P17252 2/20 0.36
▸ PRKCH P24723 2/20 0.36
▸ PRKCI P41743 2/20 0.36
▸ PRKCE Q02156 2/20 0.36
▸ PRKCQ Q04759 2/20 0.36
▸ PRKCZ Q05513 2/20 0.36
▸ PRKCD Q05655 2/20 0.36

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
SCHEMBL2558496 0.91 NPC1 (0.39) MGLLTP53MAP2K7CCNCCDK8
SCHEMBL12340535 0.87 GRM4 (0.43) TP53AURKANTRK1GRM4MEN1
SCHEMBL29370782 0.87 BACE1 (0.38) MGLLGSK3BGRM4BACE1
SCHEMBL319439 0.87 BACE1 (0.38) MGLLGSK3BGRM4BACE1
SCHEMBL3215048 0.85 GRM4 (0.39) TP53GSK3BAURKANTRK1GRM4
SCHEMBL3223995 0.85 GRM4 (0.38) MGLLTP53AURKANTRK1GRM4
SCHEMBL12340605 0.85 GRM4 (0.38) TP53AURKANTRK1GRM4MEN1
SCHEMBL13457129 0.85 GRM4 (0.38) TP53GSK3BAURKANTRK1GRM4
SCHEMBL12343685 0.85 GRM4 (0.38) TP53GSK3BAURKANTRK1GRM4
SCHEMBL3220260 0.85 GRM4 (0.38) TP53AURKANTRK1GRM4MEN1

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 9 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
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

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 MGLL 1506/4885FAAH 584/4885TP53 121/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A MGLL 1506/4885FAAH 584/4885TP53 121/4885

“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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