SCHEMBL19045984

SCHEMBL19045984

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCCNCC3)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 8/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL19030512 0.95 MAPT (0.49) MAPTLMNAGAAALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL19030468 0.91 MAPT (0.46) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19046011 0.90 ALDH1A1 (0.49) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19030431 0.82 IRAK4 (0.50) MAPTLMNAGAAALDH1A1IRAK4
SCHEMBL19030571 0.82 IRAK4 (0.38) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19030837 0.81 IRAK4 (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19045344 0.81 IRAK4 (0.38) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19030367 0.81 MAPT (0.46) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19030317 0.81 MAPT (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL20594582 0.80 MAPT (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2

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 5 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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US 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

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 MAPT 1916/4885LMNA 3215/4885GAA 4404/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885LMNA 3773/4885GAA 4340/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885LMNA 3215/4885GAA 4404/4885

“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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