SCHEMBL1437409

SCHEMBL1437409

NCCc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.57
TAAR1 Q96RJ0 1/20 0.56
LIPE Q05469 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3966123 0.91 MAOB (0.57) MAOBTAAR1LIPEMAPTNPSR1
SCHEMBL8915077 0.83 MAOB (0.55) MAOBLIPEMAPTNPSR1KDM4E
SCHEMBL1437122 0.82 LIPE (0.50) LIPEMAPTNPSR1KDM4ERAB9A
SCHEMBL3138550 0.82 MAOB (0.69) MAOBLIPEMAPTNPSR1KDM4E
SCHEMBL2872345 0.81 TAAR1 (0.78) MAOBTAAR1
SCHEMBL15685061 0.81 MAOB (0.55) MAOBTAAR1KDM4ERAB9APOLB
SCHEMBL17085333 0.81 KDM4E (0.55) MAOBTAAR1MAPTKDM4ERAB9A
SCHEMBL6305053 0.80 KDM4E (0.71) MAOBLIPEMAPTNPSR1KDM4E
Hydrochloric Acid SCHEMBL17042516 0.80 TAAR1 (0.75) MAOBTAAR1
SCHEMBL1437558 0.79 GAA (0.54) MAOBLIPEMAPTNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760617-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-03-22 EP disclosed
EP-2913325-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2021-04-21 EP disclosed
EP-3760617-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3760617-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-01-06 EP disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 US disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 US disclosed
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2015-09-17 US disclosed
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2015-09-17 US disclosed
EP-2913325-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Sinochem Corporation (CN) 2015-09-02 EP disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
EP-2473511-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-07-11 EP disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 WO disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 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-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof TYR, GART, LRRK2 MAOB 87/4885TAAR1 437/4885LIPE 4075/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 MAOB 385/4885TAAR1 1564/4885LIPE 3443/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO MAOB 421/4885TAAR1 2305/4885LIPE 4461/4885

“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.