SCHEMBL10288243

SCHEMBL10288243

COc1cc(C(=O)N(C)C)ccc1N=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ ERN1 O75460 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CA12 O43570 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
SCHEMBL16510466 0.81 CA12 (0.65) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL13100051 0.81 LMNA (0.52) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL6409033 0.81 CYP2C9 (0.66) CYP1A2HSP90AA1HSP90AB1BLMALDH1A1
SCHEMBL16510467 0.80 TSHR (0.46) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL12139942 0.78 HPGD (0.43) HSP90AA1ERN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1545307 0.78 CYP1A2 (0.69) CYP1A2HSP90AA1HSP90AB1BLMERN1
SCHEMBL17151146 0.78 CYP1A2 (0.47) CYP1A2HSP90AA1HSP90AB1BLMERN1
SCHEMBL15020075 0.77 ALDH1A1 (0.50) CYP1A2HSP90AA1HSP90AB1BLMERN1
SCHEMBL358787 0.77 ALDH1A1 (0.50) CYP1A2HSP90AA1HSP90AB1BLMERN1
SCHEMBL14059590 0.75 ERN1 (0.48) CYP1A2HSP90AA1HSP90AB1BLMERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — 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 (2 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-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885HSP90AA1 3693/4885HSP90AB1 3712/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885HSP90AA1 3693/4885HSP90AB1 3712/4885

“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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