SCHEMBL21326665

SCHEMBL21326665

CC1(CO[N+](=O)[O-])Cc2cc([N+](=O)[O-])c(N3CCOCC3)nc2O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 9/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL21326707 0.84 CYP1A2 (0.41) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
SCHEMBL21326682 0.84 CYP1A2 (0.48) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
SCHEMBL23093807 0.78 CYP1A2 (0.43) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
SCHEMBL21326717 0.78 IRAK4 (0.51) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
SCHEMBL21326713 0.72 DPP4 (0.39) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL21326724 0.71 DPP4 (0.39) CYP2C9CYP1A2MAPTALDH1A1CYP2C19
SCHEMBL21326647 0.70 IRAK4 (0.38) MAPTALDH1A1IRAK4MAPK1LMNA
SCHEMBL21326657 0.70 IRAK4 (0.50) MAPTALDH1A1CYP2C19IRAK4MAPK1
SCHEMBL21326690 0.70 IRAK4 (0.50) ALDH1A1IRAK4MAPK1HTTKMT2A
SCHEMBL19030460 0.70 IRAK4 (0.48) CYP2C9CYP1A2MAPTALDH1A1CYP2C19

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-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2022-09-06 — — US disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
EP-3535273-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — EP 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-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP2C9 3282/4885CYP1A2 3169/4885MAPT 2095/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CYP2C9 3282/4885CYP1A2 3169/4885MAPT 2095/4885

“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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