SCHEMBL18074955

SCHEMBL18074955

Clc1ccc(-c2cccnc2Oc2ncc(Cl)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ TGFBR1 P36897 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL18075426 0.81 BTK (0.43) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL31532200 0.78 CYP1A2 (0.41) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL16915375 0.78 CYP1A2 (0.41) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL16915418 0.68 CYP1A2 (0.43) RAB9AMEN1KMT2ANPC1GAA
SCHEMBL4675603 0.67 RAB9A (0.40) RAB9ASMN1; SMN2TGFBR1L3MBTL1
SCHEMBL197509 0.65 KDM4E (0.61) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL29577312 0.65 KDM4E (0.61) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL197456 0.65 CCR1 (0.46) TGFBR1MAPK14L3MBTL1
SCHEMBL31504098 0.65 CCR1 (0.46) TGFBR1MAPK14L3MBTL1
SCHEMBL30912185 0.65 SMN1; SMN2 (0.42) RAB9AMEN1KMT2ANPC1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271350-B1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES FMC CORP (US) 2022-05-25 — — EP disclosed
US-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides FMC CORPORATION (US) 2021-05-18 — — US disclosed
US-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-01-25 — — US disclosed
EP-3271350-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-01-24 — — EP disclosed
WO-2016149315-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-22 — — 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-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides DDT, CNPY2, NOX4 KDM4E 1907/4885RAB9A 2073/4885MEN1 4013/4885
US-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES DDT, CNPY2, NOX4 KDM4E 1907/4885RAB9A 2073/4885MEN1 4013/4885

“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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