SCHEMBL15084267

SCHEMBL15084267

COc1c(C)nc(Cl)nc1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ POLB P06746 4/20 0.46
▸ PTPN7 P35236 4/20 0.46
▸ RECQL P46063 4/20 0.46
▸ BLM P54132 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.46

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 0.86 MAPT (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15065223 0.84 MAPT (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21704503 0.76 HSP90AA1 (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23162599 0.75 ADORA2A (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13733291 0.74 ALDH1A1 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21460575 0.73 TDP1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21460544 0.68 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3682872 0.67 MAPT (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30463636 0.66 POLB (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL929525 0.66 ADORA2A (0.56) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 1515/4885ALDH1A1 185/4885MAPT 3654/4885

“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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