SCHEMBL12340583

SCHEMBL12340583

Cc1cc(CCNc2ncnc3c(F)cc(F)c(F)c23)ccc1Oc1cc(C(F)(F)F)cc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HTT P42858 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ NR2F2 P24468 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ GALR3 O60755 2/20 0.33

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
SCHEMBL3217949 0.92 TP53 (0.37) TP53AURKANTRK1AURKBMAPT
SCHEMBL12340568 0.88 AURKA (0.35) TP53AURKANTRK1AURKBMAPT
SCHEMBL12340581 0.84 GRM4 (0.38) TP53AURKANTRK1AURKBMAPT
SCHEMBL12340544 0.84 SMN1; SMN2 (0.43) TP53AURKANTRK1AURKBMAPT
SCHEMBL12340541 0.79 AURKA (0.36) TP53AURKANTRK1AURKBMAPT
SCHEMBL12340555 0.79 SMN1; SMN2 (0.49) TP53MAPTPOLBKDM4ERECQL
SCHEMBL12340549 0.77 GRM4 (0.42) TP53AURKANTRK1AURKBMAPT
SCHEMBL2550733 0.76 SMN1; SMN2 (0.43) TP53AURKANTRK1AURKBMAPT
SCHEMBL3231634 0.76 TP53 (0.35) TP53AURKANTRK1AURKBMAPT
SCHEMBL3215048 0.75 GRM4 (0.39) 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 5 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-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-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

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 121/4885AURKA 2175/4885NTRK1 3478/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A TP53 121/4885AURKA 2175/4885NTRK1 3478/4885

“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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