SCHEMBL4592101

SCHEMBL4592101

COC(=O)c1cnc(O)nc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ NFKB1 P19838 9/20 0.47
▸ ATF1 P18846 6/20 0.47
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ JUN P05412 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ XPO1 O14980 3/20 0.42

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
Water SCHEMBL4593114 0.98 MAPT (0.56) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL4592592 0.83 KDM4E (0.72) MAPTALDH1A1KDM4ENFKB1ATF1
SCHEMBL15038313 0.83 KDM4E (0.72) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL473934 0.83 ATF1 (0.62) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL1759818 0.83 MAPT (0.53) MAPTGAAALDH1A1KMT2AKDM4E
Water SCHEMBL4592788 0.82 KDM4E (0.71) MAPTALDH1A1KDM4ENFKB1ATF1
SCHEMBL6475927 0.80 MAPT (0.60) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL9564859 0.80 XPO1 (0.46) MAPTKDM4ENFKB1ATF1JUN
SCHEMBL9565080 0.78 NFKB1 (0.42) MAPTKDM4ENFKB1ATF1LMNA
Isoorotic Acid Methyl Ester SCHEMBL19303459 0.78 TSHR (0.41) GAAALDH1A1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056863-B Process for the production of pyrimidine-5-carboxylates LONZA AG 2011-04-13 — — CN disclosed
US-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 LONZA AG (CH) 2008-05-22 — — US disclosed
EP-1809609-B1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2008-04-16 — — EP disclosed
CN-101056863-A Process for the production of pyrimidine-5-carboxylates LONZA AG (CH) 2007-10-17 — — CN 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-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 HPD, DCTD, POLD1 MAPT 4276/4885GAA 4650/4885ALDH1A1 582/4885

“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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