SCHEMBL15065331

SCHEMBL15065331

C=CCc1nc(Cl)nc(Cl)c1OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
DHFR P00374 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18455272 0.74 CYP1A2 (0.34) CYP1A2
SCHEMBL1397027 0.73 CYP1A2 (0.45) CYP1A2POLBALOX15ALDH1A1TSHR
SCHEMBL28041791 0.73
SCHEMBL15065760 0.72 CYP1A2 (0.35) CYP1A2
SCHEMBL29556678 0.72 CYP1A2 (0.35) CYP1A2
SCHEMBL11690149 0.69 NPSR1 (0.31) ALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL645408 0.68 ALDH1A1 (0.33) ALOX15ALDH1A1TSHR
SCHEMBL3887504 0.67
SCHEMBL5465101 0.67
SCHEMBL24900445 0.66 CYP1A2 (0.53) CYP1A2ALOX15ALDH1A1TSHR

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 17 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
EP-2797897-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE- CARBALDEHYDES, AND METHODS OF FORMATION AND USE Dow AgroSciences LLC (US) 2014-11-05 EP 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
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-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
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
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
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

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 CYP1A2 388/4885DHFR 10/4885CYP3A4 428/4885
US-20150031883-A1 2,6-DIHALO-5-ALKOXY-4-SUBSTITUTED-PYRIMIDINES, PYRIMIDINE-CARBALDEHYDES, AND METHODS OF FORMATION AND USE DPYD, DDT, DCTD CYP1A2 388/4885DHFR 10/4885CYP3A4 428/4885

“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.