SCHEMBL12340592

SCHEMBL12340592

[O-][n+]1ccc(Oc2ccc(CCNc3ncnc4c(F)ccc(F)c34)cc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.35
▸ GPR84 Q9NQS5 3/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ TP53 P04637 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ HTT P42858 6/20 0.32
▸ TTBK1 Q5TCY1 1/20 0.31
▸ TTBK2 Q6IQ55 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GALR3 O60755 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NR2F2 P24468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL3210043 0.94 AURKA (0.34) AURKAGPR84NTRK1TP53LMNA
SCHEMBL14616419 0.84 AURKA (0.35) AURKANTRK1TP53RPS6KB1HTT
SCHEMBL12340589 0.83 TP53 (0.36) AURKANTRK1TP53LMNARPS6KB1
SCHEMBL12340541 0.81 AURKA (0.36) AURKANTRK1TP53RPS6KB1HTT
SCHEMBL12340528 0.81 CHEK1 (0.35) AURKANTRK1TP53LMNARPS6KB1
SCHEMBL3210040 0.78 HTT (0.37) AURKANTRK1TP53LMNARPS6KB1
SCHEMBL12340533 0.78 MAPT (0.35) AURKANTRK1TP53LMNARPS6KB1
SCHEMBL2553618 0.78 CYP2C19 (0.38) AURKANTRK1TP53LMNARPS6KB1
SCHEMBL12340498 0.78 ALDH1A1 (0.40) MAPTALDH1A1
SCHEMBL12340644 0.77 TP53 (0.39) AURKATP53LMNARPS6KB1HTT

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
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 AURKA 2175/4885GPR84 1662/4885NTRK1 3478/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A AURKA 2175/4885GPR84 1662/4885NTRK1 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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