SCHEMBL20598638

SCHEMBL20598638

O=C(Nc1cc(N2CCOCC2)ccc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 9/20 0.72
▸ IRAK1 P51617 1/20 0.52
▸ FLT3 P36888 2/20 0.44
▸ KIT P10721 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ ITK Q08881 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SCN9A Q15858 1/20 0.42

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
SCHEMBL20598190 0.93 IRAK4 (0.72) IRAK4IRAK1FLT3KITSRC
SCHEMBL20598097 0.92 IRAK4 (0.71) IRAK4IRAK1NTRK1NTRK2CHEK1
SCHEMBL20598195 0.90 IRAK4 (0.67) IRAK4IRAK1NTRK1NTRK2TSHR
SCHEMBL20598208 0.88 IRAK4 (0.67) IRAK4PIM1PIM3TSHRALDH1A1
SCHEMBL20597981 0.87 IRAK4 (0.66) IRAK4ITKCSF1RCHEK1ALDH1A1
SCHEMBL20598535 0.86 IRAK4 (0.65) IRAK4IRAK1PIM1PIM3CSF1R
SCHEMBL28379236 0.86 IRAK4 (0.69) IRAK4IRAK1PIM1PIM3NTRK2
SCHEMBL20598608 0.86 IRAK4 (0.71) IRAK4IRAK1PIM1PIM3NPSR1
SCHEMBL20598822 0.86 IRAK4 (0.65) IRAK4IRAK1PIM1PIM3CHEK1
SCHEMBL20598629 0.85 IRAK4 (0.63) IRAK4IRAK1FLT3ITKPIM3

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 20 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
EP-3645525-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING Rigel Pharmaceuticals, Inc. (US) 2020-05-06 — — EP claimed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US claimed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO 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
EP-3645525-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING Rigel Pharmaceuticals, Inc. (US) 2020-05-06 — — EP 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
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 4/4885IRAK1 1/4885FLT3 124/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885FLT3 124/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885FLT3 131/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885FLT3 124/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885FLT3 147/4885

“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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