SCHEMBL19030013

SCHEMBL19030013

CC1(COC(=O)c2ccccc2)CCc2cc([N+](=O)[O-])c(N3CCOCC3)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.47
▸ MAPT P10636 14/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL19046101 0.86 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL19046100 0.84 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL19030567 0.83 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL19030682 0.82 IRAK4 (0.49) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL28664076 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL19030460 0.74 IRAK4 (0.48) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL19030128 0.74 IRAK4 (0.52) —
SCHEMBL19030167 0.73 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL19030726 0.73 IRAK4 (0.46) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL19030445 0.72 IRAK4 (0.49) ALDH1A1MAPTLMNACYP2C9CYP2C19

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 6 patents. 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
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ALDH1A1 1146/4885MAPT 1916/4885LMNA 3215/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ALDH1A1 1115/4885MAPT 2319/4885LMNA 3773/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 ALDH1A1 1146/4885MAPT 1916/4885LMNA 3215/4885

“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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