SCHEMBL4593201

SCHEMBL4593201

CCOC(=O)c1cnc(O)nc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
LMNA P02545 4/20 0.76
MAPT P10636 3/20 0.76
MAPK1 P28482 1/20 0.76
ATM Q13315 1/20 0.76
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 5/20 0.55
CYP1A2 P05177 2/20 0.55
POLB P06746 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
HTT P42858 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53

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
SCHEMBL1965857 0.87 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL8397656 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL3443855 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL3442518 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL8397671 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL3442769 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL30040702 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL11666684 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10433933 0.80 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL11751428 0.80 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1

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 10 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
EP-1809609-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2007-07-25 EP disclosed
WO-2006048297-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2006-05-11 WO disclosed
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 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 (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 ALDH1A1 582/4885SMN1; SMN2 3802/4885LMNA 3709/4885

“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.