SCHEMBL21326651

SCHEMBL21326651

CC1(C)Cc2cc(N)c(N3CCN(CCO)CC3)nc2O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.51
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ KHK P50053 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL21326725 0.84 IRAK4 (0.56) IRAK4
SCHEMBL21326705 0.82 IRAK4 (0.51) IRAK4
SCHEMBL21326657 0.81 IRAK4 (0.50) IRAK4KHKALDH1A1MEN1KMT2A
SCHEMBL21326696 0.81 IRAK4 (0.51) IRAK4
SCHEMBL21326669 0.80 IRAK4 (0.52) IRAK4
SCHEMBL21326611 0.80 IRAK4 (0.46) IRAK4ALDH1A1KDM4EMAPTHTT
SCHEMBL29773937 0.80 IRAK4 (0.37) IRAK4
SCHEMBL19030698 0.77 IRAK4 (0.50) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL22344222 0.76 IRAK4 (0.38) IRAK4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21326692 0.74 IRAK4 (0.51) IRAK4ALDH1A1KDM4E

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
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US 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 1/4885ROCK2 3369/4885ROCK1 1217/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885ROCK2 3369/4885ROCK1 1217/4885

“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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