SCHEMBL21852566

SCHEMBL21852566

CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC(Cl)C3)cc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.79
JAK2 O60674 1/20 0.69
MAP4K4 O95819 1/20 0.69
NTRK1 P04629 1/20 0.69
JAK1 P23458 1/20 0.69
FLT3 P36888 1/20 0.69
HTR2B P41595 1/20 0.69
CDK9 P50750 1/20 0.69
NTRK2 Q16620 1/20 0.69
LRRK2 Q5S007 1/20 0.69
MINK1 Q8N4C8 1/20 0.69

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
SCHEMBL21919480 1.00 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21852565 1.00 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21852659 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21919622 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21852554 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21852658 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21852552 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL21919637 0.94 IRAK4 (0.79) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL20594839 0.94 IRAK4 (0.84) IRAK4JAK2MAP4K4NTRK1JAK1
SCHEMBL20594597 0.94 IRAK4 (0.84) IRAK4JAK2MAP4K4NTRK1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US claimed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 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 (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 IRAK4 1/4885JAK2 178/4885MAP4K4 59/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885JAK2 178/4885MAP4K4 59/4885

“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.