SCHEMBL12340562

SCHEMBL12340562

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL12340527 0.92 THRB (0.46) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL12340564 0.83 HTT (0.41) THRBMAPTPOLBHTTLMNA
SCHEMBL12340500 0.81 THRB (0.42) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL12340504 0.81 THRB (0.42) THRBMAPTMEN1KMT2AKDM4E
SCHEMBL15741688 0.81 MAPT (0.34) THRBMAPTTP53ALDH1A1HTT
SCHEMBL12340640 0.81 MAP2K7 (0.33) THRBMAPTPOLBUSP2CYP1A2
SCHEMBL12788091 0.80 THRB (0.43) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL319439 0.79 BACE1 (0.38) THRBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12340648 0.79 SCN9A (0.35) THRBMAPTALDH1A1KDM4EHTT
SCHEMBL2181171 0.78 THRB (0.41) THRBMAPTTP53MEN1KMT2A

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
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 THRB 2810/4885MAPT 3085/4885TP53 121/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A THRB 2810/4885MAPT 3085/4885TP53 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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