SCHEMBL4581677

SCHEMBL4581677

O=C1NCCN(c2ccnc(NCCc3c[nH]c4ccccc34)n2)C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.54
MKNK2 Q9HBH9 3/20 0.54
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
EIF2AK2 P19525 2/20 0.47
HTR1A P08908 10/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 4/20 0.45
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4581206 0.88 CYP1A2 (0.48) HTR2AKMT2A
SCHEMBL4580354 0.84 OGA (0.55) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4581886 0.81 OGA (0.48) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4582083 0.80 OGA (0.48) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4580672 0.80 OGA (0.48) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4581890 0.79 IDH1 (0.54) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4581037 0.79 MKNK1 (0.48) MKNK1MKNK2HTR1AHTR2AHTR7
SCHEMBL4582884 0.79 HRH4 (0.43) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4580238 0.79 HRH4 (0.48) MKNK1MKNK2HTR2AHTR7HTR6
SCHEMBL4581701 0.79 HRH4 (0.44) MKNK1MKNK2HTR2AHTR7HTR6

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 MKNK1 2166/4885MKNK2 2620/4885CCNT1 318/4885

“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.