SCHEMBL4580841

SCHEMBL4580841

O=C1NCCN(c2ccnc(NCc3c(Cl)cccc3Cl)n2)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
OGA O60502 3/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL4580658 0.89 IDH1 (0.44) IDH1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL4581890 0.89 IDH1 (0.54) IDH1HRH4OGAACHEADRA2B
SCHEMBL4581479 0.88 IDH1 (0.44) IDH1HDAC1HDAC8HDAC6HRH4
SCHEMBL4581286 0.87 IDH1 (0.41) IDH1HRH4OGAADRA2BADRA2C
SCHEMBL4582251 0.86 OGA (0.44) IDH1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL4581999 0.84 HRH4 (0.56) IDH1HRH4OGA
SCHEMBL4581339 0.84 MAPK1 (0.47) IDH1OGA
SCHEMBL4579971 0.84 KDM4E (0.42) IDH1HDAC1HDAC8HDAC6HRH4
SCHEMBL4580354 0.84 OGA (0.55) IDH1HRH4OGAADRA2BADRA2C
SCHEMBL4580971 0.84 IDH1 (0.40) IDH1HDAC1HDAC8HDAC6HRH4

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 IDH1 424/4885L3MBTL1 539/4885HDAC1 481/4885

“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.