SCHEMBL13815635

SCHEMBL13815635

CCOC(=O)CC(=O)Nc1cc(-c2ccncn2)nn1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.43
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ GPR142 Q7Z601 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL13896445 0.87 F2 (0.46) F2MEN1KMT2APDE10ACYP3A4
SCHEMBL13815632 0.75 F2 (0.38) F2HPGDMAPK1CYP3A4GSK3B
SCHEMBL17128913 0.75 F2 (0.42) F2HPGDMAPK1TSHRGSK3B
SCHEMBL13815667 0.74 KLK3 (0.45) F2MAPK1CYP3A4GSK3BPRKACA
SCHEMBL13815653 0.70 KMT2A (0.39) PKMMEN1HPGDKMT2AMAPK1
SCHEMBL25528958 0.67 TSHR (0.65) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL23414868 0.65 RIOK2 (0.60) PKMMEN1HPGDKMT2ATSHR
SCHEMBL29972899 0.65 RIOK2 (0.60) PKMMEN1HPGDKMT2ATSHR
SCHEMBL27114065 0.65 TBXAS1 (0.41) PKMMEN1HPGDKMT2AMAPK1
SCHEMBL27115771 0.65 KDM4E (0.40) MEN1HPGDKMT2ATSHRGSK3B

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-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A F2 2304/4885PKM 3015/4885MEN1 4406/4885

“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.

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