SCHEMBL20594582

SCHEMBL20594582

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCN(C(=O)O)CC3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ GPR174 Q9BXC1 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IRAK4 Q9NWZ3 7/20 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
SCHEMBL19030367 0.96 MAPT (0.46) MAPTALDH1A1LMNAGAAGPR174
SCHEMBL19030728 0.89 IRAK4 (0.39) MAPTALDH1A1LMNAGAAGPR174
SCHEMBL19046011 0.87 ALDH1A1 (0.49) MAPTALDH1A1LMNAGAAGPR174
SCHEMBL20594509 0.86 MAPT (0.52) MAPTALDH1A1LMNAGAAGPR174
SCHEMBL19030431 0.84 IRAK4 (0.50) MAPTALDH1A1LMNAGAACYP3A4
SCHEMBL19030512 0.83 MAPT (0.49) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL19030707 0.83 IRAK4 (0.48) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL19030463 0.82 MAPT (0.48) MAPTALDH1A1LMNAGAAGPR174
SCHEMBL20594529 0.82 LMNA (0.43) ALDH1A1LMNAGAAIRAK4
SCHEMBL19030837 0.82 IRAK4 (0.44) MAPTALDH1A1LMNAGAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 — — EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — 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 (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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 MAPT 2125/4885ALDH1A1 1232/4885LMNA 3564/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 2125/4885ALDH1A1 1232/4885LMNA 3564/4885

“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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