SCHEMBL23896445

SCHEMBL23896445

O=Cc1ccc(N2CCOCC2)cc1NC(=O)c1csc(-c2cn[nH]c2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 9/20 0.55
▸ CHEK1 O14757 8/20 0.54
▸ MAPKAPK2 P49137 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ IRAK1 P51617 1/20 0.39

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
SCHEMBL20598462 0.88 CHEK1 (0.65) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20598157 0.86 IRAK4 (0.65) IRAK4CHEK1MAPKAPK2IRAK1
SCHEMBL20598346 0.86 CHEK1 (0.60) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20598751 0.85 CHEK1 (0.62) IRAK4CHEK1NTRK1NTRK2
SCHEMBL30501201 0.85 CHEK1 (0.61) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20598191 0.85 CHEK1 (0.61) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20621608 0.84 IRAK4 (0.60) IRAK4MAPKAPK2PIK3CDPIK3CAPIK3CB
SCHEMBL20598109 0.83 CHEK1 (0.59) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20598557 0.83 CHEK1 (0.58) IRAK4CHEK1NTRK1NTRK2
SCHEMBL20598565 0.83 CHEK1 (0.58) IRAK4CHEK1NTRK1NTRK2

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-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — 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-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885CHEK1 147/4885MAPKAPK2 62/4885

“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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