SCHEMBL13998902

SCHEMBL13998902

COC(=O)c1nc(C)nc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.54
ALDH1A1 P00352 8/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 6/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL15449696 0.81 NPSR1 (0.56) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL19625999 0.80 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL6644787 0.80 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAEGLN1
SCHEMBL13998894 0.80 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL31093928 0.80 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAEGLN1
SCHEMBL16095119 0.80 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL13998897 0.79 NPSR1 (0.48) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL19625997 0.78 NPSR1 (0.52) NPSR1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL14499832 0.77 NPSR1 (0.47) NPSR1ALDH1A1HPGDGAAKDM4C
SCHEMBL15082052 0.76 EGLN1 (0.42) NPSR1ALDH1A1HPGDEGLN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPSR1 4369/4885ALDH1A1 1116/4885HPGD 1160/4885

“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.