SCHEMBL5465679

SCHEMBL5465679

O=C(O)n1ccc2ncncc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 7/20 0.41
RPS6KA4 O75676 3/20 0.41
ELANE P08246 1/20 0.35
EGFR P00533 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GRIN2B Q13224 4/20 0.32
MET P08581 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HDAC1 Q13547 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL28849705 0.88 RPS6KA5 (0.40) RPS6KA5RPS6KA4ELANEEGFRHDAC6
SCHEMBL29114227 0.87 RPS6KA5 (0.42) RPS6KA5RPS6KA4ELANEEGFRHDAC6
SCHEMBL30626966 0.75 KMT2A (0.44) SLC22A12
SCHEMBL30241905 0.73 SLC22A12 (0.56) RPS6KA5RPS6KA4ELANESLC22A12MET
SCHEMBL288413 0.73 SLC22A12 (0.56) RPS6KA5RPS6KA4ELANESLC22A12MET
SCHEMBL17714320 0.72 RPS6KA5 (0.36) RPS6KA5RPS6KA4ELANEEGFRSLC22A12
SCHEMBL30533169 0.72 TRPV1 (0.33)
SCHEMBL8390810 0.72 RPS6KA5 (0.37) RPS6KA5RPS6KA4HDAC6HDAC1
SCHEMBL29665757 0.71 MKNK2 (0.41) EGFRSLC22A12ALDH1A1IRAK4
SCHEMBL4417290 0.71 MKNK2 (0.41) EGFRSLC22A12ALDH1A1IRAK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805357-A Small molecule inhibitor targeting SETDB1-TTD and pharmaceutical application thereof 四川大学 2022-07-29 CN disclosed
CN-111499639-B Pyrimidone derivatives and their use in pharmacy 四川大学华西医院 2022-03-04 CN disclosed
CN-111499639-A Pyrimidone derivatives and their use in pharmacy 四川大学华西医院 2020-08-07 CN disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
CN-101056878-A Azaindole carboxamides SCHVARZ PHARMA AG (DE) 2007-10-17 CN 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A RPS6KA5 628/4885RPS6KA4 924/4885ELANE 4528/4885

“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.