SCHEMBL15065223

SCHEMBL15065223

COc1c(N)nc(Cl)nc1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 4/20 0.44
▸ BLM P54132 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PTPN7 P35236 3/20 0.44
▸ RECQL P46063 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ PKM P14618 3/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ CASP7 P55210 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ THRB P10828 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ USP2 O75604 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
SCHEMBL15064902 0.85 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL15084267 0.84 KDM4E (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL23162599 0.79 ADORA2A (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL21460575 0.69 TDP1 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL929525 0.68 ADORA2A (0.56) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL21704503 0.67 HSP90AA1 (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL21460544 0.67 KDM4E (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL22463752 0.67 ADORA2A (0.72) ADORA2AADORA1ADORA3
SCHEMBL1397084 0.66 CYP1A2 (0.38) ALDH1A1ALOX15TSHR
SCHEMBL24900719 0.65 CDK5 (0.48) MEN1KMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797897-B1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DOW AGROSCIENCES LLC (US) 2017-02-01 — — EP disclosed
EP-2797897-B1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DOW AGROSCIENCES LLC (US) 2017-02-01 — — EP disclosed
US-9216958-B2 2,6-dihalo-5-alkoxy-4-substituted-pyrimidines, pyrimidine-carbaldehydes, and methods of formation and use DOW AGROSCIENCES LLC (US) 2015-12-22 — — US disclosed
US-9216958-B2 2,6-dihalo-5-alkoxy-4-substituted-pyrimidines, pyrimidine-carbaldehydes, and methods of formation and use DOW AGROSCIENCES LLC (US) 2015-12-22 — — US disclosed
US-9216958-B2 2,6-dihalo-5-alkoxy-4-substituted-pyrimidines, pyrimidine-carbaldehydes, and methods of formation and use DOW AGROSCIENCES LLC (US) 2015-12-22 — — US disclosed
US-20150031883-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE-CARBALDEHYDES, AND METHODS OF FORMATION AND USE CORTEVA AGRISCIENCE LLC 2015-01-29 — — US disclosed
US-20150031883-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE-CARBALDEHYDES, AND METHODS OF FORMATION AND USE CORTEVA AGRISCIENCE LLC 2015-01-29 — — US disclosed
US-20150031883-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE-CARBALDEHYDES, AND METHODS OF FORMATION AND USE CORTEVA AGRISCIENCE LLC 2015-01-29 — — US disclosed
US-8877925-B2 2,6-dihalo-5-alkoxy-4-substituted-pyrimidines, pyrimidine-carbaldehydes, and methods of formation and use DOW AGROSCIENCES, LLC. (US) 2014-11-04 — — US disclosed
US-8877925-B2 2,6-dihalo-5-alkoxy-4-substituted-pyrimidines, pyrimidine-carbaldehydes, and methods of formation and use DOW AGROSCIENCES, LLC. (US) 2014-11-04 — — US disclosed
WO-2013102111-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DOW AGROSCIENCES LLC (US) 2013-07-04 — — WO disclosed
US-20130172557-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DOW AGROSCIENCES LLC (US) 2013-07-04 — — US disclosed
US-20130172557-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DOW AGROSCIENCES LLC (US) 2013-07-04 — — 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-20130172557-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE DPYD, DDT, DCTD MAPT 3654/4885MEN1 4628/4885KMT2A 1783/4885
US-20150031883-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE-CARBALDEHYDES, AND METHODS OF FORMATION AND USE DPYD, DDT, DCTD MAPT 3654/4885MEN1 4628/4885KMT2A 1783/4885

“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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