SCHEMBL20598326

SCHEMBL20598326

O=C(Nc1ccc(NCCN2CCOCC2)cc1N1CCCCC1)c1csc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ PIM1 P11309 4/20 0.43
▸ PIM3 Q86V86 4/20 0.43
▸ GAA P10253 2/20 0.42
▸ PIM2 Q9P1W9 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ EGFR P00533 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
SCHEMBL20598264 0.86 PIM1 (0.45) LMNAHDAC1PIM1PIM3ADORA2A
SCHEMBL30501451 0.86 PIM1 (0.45) LMNAHDAC1PIM1PIM3ADORA2A
SCHEMBL20598590 0.86 CHEK1 (0.54) IRAK4HPGDS
SCHEMBL20597905 0.86 CSF1R (0.44) PIM1PIM3PIM2IRAK4ALDH1A1
SCHEMBL20598423 0.84 PIM1 (0.46) PIM1PIM3PIM2IRAK4ALDH1A1
SCHEMBL20598523 0.82 NTRK1 (0.56) PIM1PIM3PIM2IRAK4NTRK1
SCHEMBL20598053 0.82 PIM1 (0.43) PIM1PIM3PIM2IRAK4ALDH1A1
SCHEMBL20598106 0.81 CSF1R (0.57) LMNAGAAALDH1A1L3MBTL1MAPK1
SCHEMBL20623374 0.81 HSP90AA1 (0.39) LMNAHDAC1PIM1ADORA2AADORA1
SCHEMBL20598114 0.81 WDR5 (0.44) PIM1PIM3PIM2IRAK4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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
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
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 LMNA 1127/4885HDAC1 716/4885PIM1 188/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 LMNA 1127/4885HDAC1 716/4885PIM1 188/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 LMNA 1085/4885HDAC1 628/4885PIM1 129/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 LMNA 1127/4885HDAC1 716/4885PIM1 188/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 LMNA 1204/4885HDAC1 540/4885PIM1 112/4885

“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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