SCHEMBL2555889

SCHEMBL2555889

Fc1cc(C(F)(F)F)cnc1Oc1ccc(CCNc2ncnc3c(F)ccc(F)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ AURKA O14965 5/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL12340648 0.90 SCN9A (0.35) LMNASMN1; SMN2HTTALDH1A1SCN9A
SCHEMBL12340659 0.89 AURKA (0.39) LMNASMN1; SMN2AURKAAURKBHTT
SCHEMBL12340649 0.86 TLR8 (0.38) AURKAAURKBHTTNTRK1PLAAT3
SCHEMBL12340530 0.86 SMN1; SMN2 (0.46) LMNASMN1; SMN2AURKAAURKBHTT
SCHEMBL2551499 0.85 PLAAT3 (0.49) LMNASCN9APLAAT3PLAAT5PLAAT2
SCHEMBL12788064 0.84 LMNA (0.41) LMNASMN1; SMN2AURKAAURKBHTT
SCHEMBL2558496 0.83 NPC1 (0.39) AURKAAURKBHTTNTRK1PLAAT3
SCHEMBL2180038 0.82 AURKA (0.39) LMNASMN1; SMN2AURKAAURKBHTT
SCHEMBL12340667 0.82 LMNA (0.39) LMNASMN1; SMN2HTTALDH1A1SCN9A
SCHEMBL2554977 0.82 FFAR1 (0.40) LMNASMN1; SMN2HTTALDH1A1SCN9A

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
EP-2557927-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-20 — — EP claimed
EP-2557926-A1 FUNGICIDAL MIXTURES II COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-20 — — EP claimed
US-20130040813-A1 Fungicidal mixtures II comprising quinazolines BASF SE (DE) 2013-02-14 — — US claimed
US-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-07 — — US claimed
WO-2011128837-A1 FUNGICIDAL MIXTURES II COMPRISING QUINAZOLINES BASF SE (DE) 2011-10-20 — — WO claimed
WO-2011128843-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2011-10-20 — — WO claimed
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-20130040813-A1 Fungicidal mixtures II comprising quinazolines BASF SE (DE) 2013-02-14 — — US disclosed
US-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-07 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 LMNA 4092/4885SMN1; SMN2 2689/4885AURKA 2175/4885
US-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES CYP1A2, CYP3A7, CYP51A1 LMNA 3857/4885SMN1; SMN2 3702/4885AURKA 1072/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A LMNA 4092/4885SMN1; SMN2 2689/4885AURKA 2175/4885
US-20130040813-A1 Fungicidal mixtures II comprising quinazolines CYP1A2, CYP3A7, CYP51A1 LMNA 4312/4885SMN1; SMN2 3731/4885AURKA 1171/4885

“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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