SCHEMBL20621608

SCHEMBL20621608

O=Cc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 15/20 0.60
▸ IRAK1 P51617 1/20 0.53
▸ MAPKAPK2 P49137 1/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ 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
▸ NTRK2 Q16620 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL20598195 0.87 IRAK4 (0.67) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598629 0.86 IRAK4 (0.63) IRAK4IRAK1NTRK1
SCHEMBL20598638 0.85 IRAK4 (0.72) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598097 0.84 IRAK4 (0.71) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598190 0.84 IRAK4 (0.72) IRAK4IRAK1NTRK1NTRK2
SCHEMBL23896445 0.84 IRAK4 (0.55) IRAK4IRAK1MAPKAPK2NTRK1PIK3CD
SCHEMBL20598160 0.82 IRAK4 (0.61) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598069 0.82 IRAK4 (0.61) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598580 0.82 IRAK4 (0.61) IRAK4IRAK1NTRK1NTRK2
SCHEMBL20598338 0.80 IRAK4 (0.59) IRAK4IRAK1NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — 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-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885MAPKAPK2 62/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885MAPKAPK2 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.

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