SCHEMBL21326657

SCHEMBL21326657

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCN(CCO)CC3)nc2O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.50
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KHK P50053 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21326709 0.85 IRAK4 (0.53) IRAK4ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21326605 0.84 IRAK4 (0.50) IRAK4GAAALDH1A1MAPTLMNA
SCHEMBL29773924 0.84 IRAK4 (0.50) IRAK4GAAALDH1A1MAPTLMNA
SCHEMBL21326647 0.84 IRAK4 (0.38) IRAK4POLBALDH1A1MAPTLMNA
SCHEMBL21326690 0.83 IRAK4 (0.50) IRAK4KMT2AALDH1A1MAPK1
SCHEMBL21326652 0.82 IRAK4 (0.51) IRAK4POLBALDH1A1MAPTLMNA
SCHEMBL21326682 0.82 CYP1A2 (0.48) IRAK4POLBMEN1KMT2AALDH1A1
SCHEMBL29773991 0.82 IRAK4 (0.37) IRAK4POLBMEN1KMT2AALDH1A1
SCHEMBL21326713 0.81 DPP4 (0.39) POLBGAAALDH1A1CYP2C19MAPT
SCHEMBL21326651 0.81 IRAK4 (0.51) IRAK4MEN1KMT2AALDH1A1CYP2C19

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
CN-109890829-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2022-07-15 — — CN 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 IRAK4 1/4885POLB 1831/4885MEN1 4121/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885POLB 1831/4885MEN1 4121/4885

“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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