SCHEMBL29935298

SCHEMBL29935298

CC(C)N1Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ MAPT P10636 14/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ CTSB P07858 1/20 0.40

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
SCHEMBL19046208 1.00 IRAK4 (0.47) IRAK4MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL19046209 0.81 IRAK4 (0.49) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19046212 0.77 VCAM1 (0.39) MAPTALDH1A1CYP3A4LMNAGAA
SCHEMBL19030679 0.74 MAPT (0.47) IRAK4MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL19030645 0.74 MAPT (0.51) IRAK4MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL19030012 0.72 MAPT (0.52) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11609787 0.71 MAPT (0.60) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL19030461 0.70 MAPT (0.49) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL19030029 0.69 MAPT (0.49) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL19030153 0.69 MAPT (0.46) IRAK4MAPTALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — 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-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885MAPT 2319/4885ALDH1A1 1115/4885

“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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