SCHEMBL2145774

SCHEMBL2145774

NCCc1ccc(Oc2ccnc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.50
▸ LOX P28300 2/20 0.49
▸ MAOB P27338 7/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.44
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41

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
Hydrochloric Acid SCHEMBL15155146 0.99 LOXL2 (0.51) LOXL2LOXMAOBTAAR1ALOX5AP
SCHEMBL15832930 0.88 LOXL2 (0.61) LOXL2LOXMAOBALOX5APFEN1
SCHEMBL24999942 0.86 LOXL2 (0.43) LOXL2LOXALOX5APFEN1
SCHEMBL29769124 0.86 LOXL2 (0.43) LOXL2LOXALOX5APFEN1
SCHEMBL15156856 0.84 LOXL2 (0.45) LOXL2LOXMAOBTAAR1ALOX5AP
Hydrochloric Acid SCHEMBL15157155 0.83 LOXL2 (0.47) LOXL2LOXMAOBTAAR1ALOX5AP
SCHEMBL1643206 0.83 ALDH1A1 (0.47) LOXL2LOXMAOBALOX5APFEN1
SCHEMBL14662593 0.82 LTA4H (0.46) LOXL2LOXALOX5APFEN1
SCHEMBL29918362 0.82 LTA4H (0.46) LOXL2LOXALOX5APFEN1
SCHEMBL27894825 0.81 LOXL2 (0.50) LOXL2LOXALOX5APFEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809658-B1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2015-09-30 — — EP disclosed
US-9072301-B2 Fungicidal pyrimidine compounds BASF SE (DE) 2015-07-07 — — US disclosed
US-9055750-B2 Fungicidal pyrimidine compounds BASF SE (DE) 2015-06-16 — — US disclosed
US-20150024936-A1 Fungicidal Pyrimidine Compounds BASF SE (DE) 2015-01-22 — — US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 — — US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 — — US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 — — US disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 — — EP disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 — — EP disclosed
US-20140371065-A1 Fungicidal Pyrimidine Compounds BASF SE (DE) 2014-12-18 — — US disclosed
WO-2013113716-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-08-08 — — WO disclosed
WO-2013113788-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-08-08 — — WO disclosed
WO-2013113773-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-08-08 — — WO disclosed
EP-2521452-A1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-11-14 — — EP disclosed
WO-2011085084-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-07-14 — — WO disclosed
WO-2011085084-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-07-14 — — WO disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 — — US disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 — — US disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 — — 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 (3 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-20140371065-A1 Fungicidal Pyrimidine Compounds DPM1, DPYD, TYMP LOXL2 4083/4885LOX 2876/4885MAOB 495/4885
US-20150024936-A1 Fungicidal Pyrimidine Compounds DPM1, DPYD, TYMP LOXL2 4083/4885LOX 2876/4885MAOB 495/4885
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DPYD, TYMS, TYMP LOXL2 3647/4885LOX 1757/4885MAOB 1831/4885

“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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