SCHEMBL12340527

SCHEMBL12340527

COc1ccc(CCNc2ncnc3c(F)ccc(F)c23)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ TP53 P04637 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL12340562 0.92 THRB (0.48) THRBMAPTALDH1A1USP2CYP1A2
SCHEMBL12340500 0.85 THRB (0.42) THRBMAPTALDH1A1MAPK1TSHR
SCHEMBL12340538 0.84 HTT (0.39) THRBMAPTLMNATP53HTT
SCHEMBL12340642 0.83 KDR (0.34) THRBMAPTUSP2CYP1A2CYP3A4
SCHEMBL12340542 0.82 BACE1 (0.36) THRBNPC1RAB9A
SCHEMBL12340504 0.81 THRB (0.42) THRBMAPTMAPK1TSHRLMNA
SCHEMBL12340502 0.80 HTT (0.34) THRBMAPTALDH1A1LMNAKMT2A
SCHEMBL3206261 0.79 SMN1; SMN2 (0.51) MAPTMAPK1TSHRLMNAKMT2A
SCHEMBL12788928 0.78 CYP1A2 (0.43) THRBMAPTALDH1A1USP2CYP1A2
SCHEMBL12340564 0.78 HTT (0.41) THRBMAPTLMNAPOLBHTT

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
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
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 THRB 2810/4885MAPT 3085/4885ALDH1A1 321/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A THRB 2810/4885MAPT 3085/4885ALDH1A1 321/4885

“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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