SCHEMBL21326652

SCHEMBL21326652

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCC(F)(CO)CC3)nc2O1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.51
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21326657 0.82 IRAK4 (0.50) IRAK4ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL21326690 0.82 IRAK4 (0.50) IRAK4ALDH1A1MAPK1HTT
SCHEMBL21326669 0.81 IRAK4 (0.52) IRAK4
SCHEMBL21326682 0.81 CYP1A2 (0.48) IRAK4ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL21326647 0.81 IRAK4 (0.38) IRAK4ALDH1A1MAPK1HTTLMNA
SCHEMBL21326713 0.80 DPP4 (0.39) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL19030095 0.80 IRAK4 (0.49) IRAK4ALDH1A1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL21326724 0.79 DPP4 (0.39) ALDH1A1MAPK1HTTLMNASMN1; SMN2
SCHEMBL21326605 0.79 IRAK4 (0.50) IRAK4ALDH1A1MAPK1HTTLMNA
SCHEMBL29773924 0.79 IRAK4 (0.50) IRAK4ALDH1A1MAPK1HTTLMNA

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 1/4885ALDH1A1 1023/4885MAPK1 68/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885ALDH1A1 1023/4885MAPK1 68/4885

“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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