SCHEMBL22344222

SCHEMBL22344222

CC1(C)Cc2cc(N)c(N3CCC(C(O)C(O)C4CCN(c5nc6c(cc5N)CC(C)(C)O6)CC4)CC3)nc2O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 18/20 0.38
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL21326696 0.83 IRAK4 (0.51) IRAK4
SCHEMBL29773937 0.82 IRAK4 (0.37) IRAK4
SCHEMBL21326611 0.80 IRAK4 (0.46) IRAK4KDM4EALDH1A1
SCHEMBL21326651 0.76 IRAK4 (0.51) IRAK4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL21326669 0.75 IRAK4 (0.52) IRAK4
SCHEMBL21326705 0.75 IRAK4 (0.51) IRAK4
SCHEMBL21326725 0.74 IRAK4 (0.56) IRAK4
SCHEMBL21326720 0.71 IRAK4 (0.42) IRAK4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL23093807 0.70 CYP1A2 (0.43) IRAK4MEN1ALDH1A1KMT2A
SCHEMBL21326692 0.69 IRAK4 (0.51) IRAK4KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US 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 (1 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 1/4885KDM4E 674/4885MEN1 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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