SCHEMBL12340568

SCHEMBL12340568

[O-][n+]1ccc(C(F)(F)F)cc1Oc1ccc(CCNc2ncnc3c(F)cc(F)c(F)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ TP53 P04637 4/20 0.34
▸ AURKB Q96GD4 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RPS6KB1 P23443 2/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ TTBK1 Q5TCY1 1/20 0.30
▸ LMNA P02545 1/20 0.30

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 0.91 AURKA (0.36) AURKANTRK1TP53AURKBHTT
SCHEMBL12340583 0.88 TP53 (0.36) AURKANTRK1TP53AURKBHTT
SCHEMBL3231634 0.85 TP53 (0.35) AURKANTRK1TP53AURKBHTT
SCHEMBL2554124 0.83 NPC1 (0.38) AURKANTRK1TP53AURKBHTT
SCHEMBL12340569 0.81 PLAAT3 (0.45) MAPTLMNA
SCHEMBL3217949 0.79 TP53 (0.37) AURKANTRK1TP53AURKBHTT
SCHEMBL12340544 0.78 SMN1; SMN2 (0.43) AURKANTRK1TP53AURKBHTT
SCHEMBL2556921 0.76 AURKA (0.35) AURKANTRK1TP53AURKBHTT
SCHEMBL6523040 0.75 TP53 (0.38) AURKANTRK1TP53AURKBHTT
SCHEMBL12340549 0.74 GRM4 (0.42) AURKANTRK1TP53AURKBHTT

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 4 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

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