SCHEMBL20598567

SCHEMBL20598567

O=C(Nc1ccc(CN2CCOCC2)cc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.66
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CDK19 Q9BWU1 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ INSR P06213 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CHEK1 O14757 4/20 0.43
▸ IRAK1 P51617 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CCNA1 P78396 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
SCHEMBL20597981 0.94 IRAK4 (0.66) IRAK4CCNCCDK8CDK19ROCK2
SCHEMBL20598247 0.93 IRAK4 (0.65) IRAK4ROCK2ROCK1HDAC6IRAK1
SCHEMBL30501418 0.93 IRAK4 (0.65) IRAK4ROCK2ROCK1HDAC6IRAK1
SCHEMBL20598483 0.89 IRAK4 (0.65) IRAK4HDAC6CHEK1IRAK1PIM1
SCHEMBL20598190 0.87 IRAK4 (0.72) IRAK4ITKCHEK1IRAK1PIM1
SCHEMBL20598535 0.87 IRAK4 (0.65) IRAK4ROCK2ROCK1HDAC6CHEK1
SCHEMBL20598451 0.86 IRAK4 (0.63) IRAK4ROCK2ROCK1IRAK1PIM1
SCHEMBL20598097 0.86 IRAK4 (0.71) IRAK4CHEK1IRAK1
SCHEMBL20598499 0.85 CHEK1 (0.57) IRAK4CCNCCDK8CDK19INSR
SCHEMBL20597988 0.85 IRAK4 (0.67) IRAK4IRAK1PIM1PIM3

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 16 patents. 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 claimed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US claimed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US claimed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US claimed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — US claimed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — 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 (5 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 4/4885CCNC 2854/4885CDK8 144/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885CCNC 2854/4885CDK8 144/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885CCNC 3038/4885CDK8 225/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885CCNC 2854/4885CDK8 144/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885CCNC 2718/4885CDK8 234/4885

“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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