SCHEMBL12340581

SCHEMBL12340581

Cc1cc(CCNc2ncnc3c(F)cc(F)c(F)c23)ccc1Oc1cc(C(F)(F)F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ AURKA O14965 3/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKD3 O94806 2/20 0.34
▸ PRKCG P05129 2/20 0.34
▸ PRKCB P05771 2/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ PRKCH P24723 2/20 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
SCHEMBL12340549 0.93 GRM4 (0.42) GRM4TP53AURKANTRK1AURKB
SCHEMBL2550733 0.92 SMN1; SMN2 (0.43) TP53AURKANTRK1AURKBMAPT
SCHEMBL3215048 0.91 GRM4 (0.39) GRM4TP53AURKANTRK1AURKB
SCHEMBL12340611 0.91 GRM4 (0.37) GRM4TP53AURKANTRK1AURKB
SCHEMBL2554124 0.88 NPC1 (0.38) GRM4TP53AURKANTRK1AURKB
SCHEMBL12340548 0.85 TP53 (0.38) GRM4TP53MAPTKDM4EPOLB
SCHEMBL12340583 0.84 TP53 (0.36) TP53AURKANTRK1AURKBGSK3B
SCHEMBL12340535 0.84 GRM4 (0.43) GRM4TP53AURKANTRK1AURKB
SCHEMBL29627690 0.83 SMN1; SMN2 (0.45) TP53AURKANTRK1AURKBMAPT
SCHEMBL2551041 0.83 SMN1; SMN2 (0.45) TP53AURKANTRK1AURKBMAPT

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
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 (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 GRM4 1359/4885TP53 121/4885AURKA 2175/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A GRM4 1359/4885TP53 121/4885AURKA 2175/4885

“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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