SCHEMBL20051777

SCHEMBL20051777

N#C[C@H]1CC[C@H](Nc2c(N)cnc3ccoc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.39
PIM1 P11309 2/20 0.32
MELK Q14680 1/20 0.31

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
SCHEMBL21286732 0.85 IRAK4 (0.37) IRAK4MELK
SCHEMBL27153783 0.85 IRAK4 (0.37) IRAK4MELK
SCHEMBL30822849 0.85 IRAK4 (0.37) IRAK4MELK
SCHEMBL20051446 0.83 IRAK4 (0.40) IRAK4
SCHEMBL25806613 0.79 PIK3CD (0.33) IRAK4
SCHEMBL21286839 0.79 PIK3CD (0.33) IRAK4
SCHEMBL20051455 0.79 PIK3CD (0.33) IRAK4
SCHEMBL20051452 0.79 PIK3CD (0.33) IRAK4
SCHEMBL25806402 0.79 PIK3CD (0.33) IRAK4
Hydrochloric Acid SCHEMBL25301238 0.78 PIK3CD (0.33) IRAK4

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-10738060-B2 JAK1 selective inhibitors and uses thereof TLL Pharmaceutical, LLC (US) 2020-08-11 US disclosed
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF HANGZHOU HIGHLIGHTII PHARMACEUTICAL CO., LTD (CN) 2019-08-22 US disclosed
WO-2018067422-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF LIANG CONGXIN (US) 2018-04-12 WO 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-10738060-B2 JAK1 selective inhibitors and uses thereof JAK1, JAK3, JAK2 IRAK4 11/4885PIM1 85/4885MELK 105/4885
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 IRAK4 11/4885PIM1 65/4885MELK 130/4885

“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.