SCHEMBL4581999

SCHEMBL4581999

O=C1NCCN(c2ccnc(NCC3CC3)n2)C1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
VCP P55072 1/20 0.43
IDH1 O75874 6/20 0.41
OGA O60502 2/20 0.39
USP30 Q70CQ3 2/20 0.39
GRIN2B Q13224 4/20 0.39
PLK1 P53350 1/20 0.38
PAK4 O96013 1/20 0.38
PAK1 Q13153 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4581890 0.87 IDH1 (0.54) HRH4IDH1OGA
SCHEMBL4581479 0.86 IDH1 (0.44) HRH4IDH1OGA
SCHEMBL4580971 0.84 IDH1 (0.40) HRH4IDH1OGAMAPK13MAPK12
SCHEMBL4581007 0.84 HRH4 (0.54) HRH4IDH1OGA
SCHEMBL4582251 0.84 OGA (0.44) HRH4IDH1OGAMAPK13MAPK12
SCHEMBL4580354 0.84 OGA (0.55) HRH4IDH1OGA
SCHEMBL4580841 0.84 IDH1 (0.42) HRH4IDH1OGA
SCHEMBL4580658 0.84 IDH1 (0.44) HRH4IDH1OGA
SCHEMBL4581979 0.83 IDH1 (0.53) HRH4IDH1
SCHEMBL4581284 0.83 IDH1 (0.56) HRH4IDH1

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
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 HRH4 52/4885VCP 4877/4885IDH1 424/4885

“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.