SCHEMBL5359033

SCHEMBL5359033

CC(=O)OCC(=O)Nc1c(Cl)ncnc1NCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.37
EGFR P00533 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.34
CHEK1 O14757 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21878045 0.77 SMN1; SMN2 (0.35) HPGDUSP2SMN1; SMN2ALDH1A1EGFR
SCHEMBL16013623 0.70 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1EGFRCYP2C19
SCHEMBL15719096 0.67 HTT (0.40) USP2MEN1KMT2A
SCHEMBL4954568 0.67 GALR3 (0.52) HPGDSMN1; SMN2ALDH1A1JAK2JAK1
SCHEMBL5359042 0.67 HPGD (0.40) HPGDUSP2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5361269 0.67 NUDT1 (0.41)
SCHEMBL4491737 0.66 USP2 (0.51) HPGDUSP2SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL30839242 0.64 ALDH1A1 (0.74) HPGDSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL2947641 0.64 ALDH1A1 (0.74) HPGDSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL31364640 0.64 AURKA (0.42) EGFRJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 HPGD 698/4885USP2 4292/4885SMN1; SMN2 2680/4885

“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.