SCHEMBL4481678

SCHEMBL4481678

NC(=O)c1cnn(-c2cccc(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
ALKBH2 Q6NS38 1/20 0.51
BTK Q06187 1/20 0.47
NPC1 O15118 5/20 0.46
MAP4K4 O95819 1/20 0.45
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
PARP1 P09874 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL30132085 1.00 HPGDS (0.51) HPGDSALKBH2BTKNPC1MAP4K4
SCHEMBL3374557 0.88 ALKBH2 (0.69) HPGDSALKBH2NPC1MLLT3MLLT1
SCHEMBL5063087 0.87 HPGDS (0.50) HPGDSALKBH2BTKNPC1MAP4K4
SCHEMBL2190049 0.82 ALKBH2 (0.74) HPGDSALKBH2NPC1MAP4K4RAB9A
SCHEMBL10139147 0.81 MAP4K4 (0.56) HPGDSALKBH2BTKNPC1MAP4K4
SCHEMBL3107063 0.80 EPHX2 (0.64) HPGDSALKBH2BTKNPC1RAB9A
SCHEMBL30978305 0.78 BTK (0.48) HPGDSALKBH2BTKNPC1RAB9A
SCHEMBL23846557 0.77 F7 (0.54) HPGDSALKBH2BTKNPC1MAP4K4
SCHEMBL4500055 0.76 SCN9A (0.54) HPGDSALKBH2BTKNPC1MAP4K4
Isophthalic Acid SCHEMBL27862943 0.74 ALKBH2 (0.54) HPGDSALKBH2NPC1KEAP1NFE2L2

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-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP HPGDS 1631/4885ALKBH2 1531/4885BTK 4561/4885

“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.