SCHEMBL20598264

SCHEMBL20598264

O=C(Nc1ccc(NCCN2CCOCC2)cc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ IRAK4 Q9NWZ3 4/20 0.43
▸ MAPK10 P53779 2/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KIF18A Q8NI77 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BCL3 P20749 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ NTRK1 P04629 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
SCHEMBL30501451 1.00 PIM1 (0.45) PIM1PIM3ADORA2AADORA1IRAK4
SCHEMBL30501459 0.87 PIM1 (0.47) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL20598210 0.87 PIM1 (0.47) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL20598326 0.86 LMNA (0.43) PIM1PIM3ADORA2AADORA1IRAK4
SCHEMBL20598757 0.84 PIM1 (0.48) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL30501336 0.84 PIM1 (0.48) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL20598451 0.83 IRAK4 (0.63) PIM1PIM3ADORA2AADORA1IRAK4
SCHEMBL30501473 0.82 PIM1 (0.43) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL20598593 0.82 PIM1 (0.43) PIM1PIM3IRAK4MAPK10ALDH1A1
SCHEMBL20598509 0.82 IRAK4 (0.46) PIM1PIM3IRAK4MAPK10ALDH1A1

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 12 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 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
CN-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN 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 PIM1 188/4885PIM3 326/4885ADORA2A 1810/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PIM1 188/4885PIM3 326/4885ADORA2A 1810/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 PIM1 129/4885PIM3 349/4885ADORA2A 1821/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PIM1 188/4885PIM3 326/4885ADORA2A 1810/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 PIM1 112/4885PIM3 296/4885ADORA2A 2055/4885

“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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