SCHEMBL12340555

SCHEMBL12340555

COc1ccc(CCNc2ncnc3c(F)cc(F)c(F)c23)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ MAPT P10636 6/20 0.48
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HTT P42858 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ APP P05067 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ NR2F2 P24468 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GALR3 O60755 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.43

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
SCHEMBL12340546 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340595 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL3206261 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL14642716 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340515 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340556 0.86 HTT (0.40) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340581 0.81 GRM4 (0.38) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340531 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL2550733 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1KMT2AMEN1STAT3
SCHEMBL12340547 0.80 HTT (0.42) SMN1; SMN2MAPK1KMT2AMEN1STAT3

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 SMN1; SMN2 2689/4885MAPK1 4189/4885KMT2A 1294/4885
US-20100056374-A1 5,8-DIFLUORO-4-(2-(4-(HETEROARYLOXY)-PHENYL)ETHYLAMINO)QUINAZOLINES AND THEIR USE AS AGROCHEMICALS NQO2, DDT, RAB7A SMN1; SMN2 2689/4885MAPK1 4189/4885KMT2A 1294/4885

“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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