SCHEMBL4581890

SCHEMBL4581890

O=C1NCCN(c2ccnc(NCc3ccccc3)n2)C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.54
LCK P06239 1/20 0.45
OGA O60502 4/20 0.43
HRH4 Q9H3N8 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CDC7 O00311 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
SCHEMBL4581840 0.92 OGA (0.53) IDH1OGAMKNK1MKNK2
SCHEMBL4580354 0.91 OGA (0.55) IDH1OGAHRH4ADRA2BADRA2C
SCHEMBL4581479 0.90 IDH1 (0.44) IDH1LCKOGAHRH4ADRA2B
SCHEMBL4580232 0.90 IDH1 (0.46) IDH1LCKOGAHRH4ADRA2B
SCHEMBL4579658 0.90 IDH1 (0.46) IDH1LCKOGAHRH4ADRA2B
SCHEMBL4580579 0.90 ACHE (0.47) IDH1OGAHRH4ACHE
SCHEMBL4581886 0.89 OGA (0.48) IDH1OGAHRH4ADRA2BADRA2C
SCHEMBL4580841 0.89 IDH1 (0.42) IDH1OGAHRH4ADRA2BADRA2C
SCHEMBL4582251 0.89 OGA (0.44) IDH1OGAHRH4ADRA2BADRA2C
SCHEMBL4580672 0.88 OGA (0.48) IDH1OGAHRH4ADRA2BADRA2C

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-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
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 IDH1 424/4885LCK 31/4885OGA 3642/4885

“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.