SCHEMBL20598676

SCHEMBL20598676

O=C(Nc1cc(CCN2CCOCC2)ccc1N1CCCCC1)c1csc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PIM1 P11309 2/20 0.44
▸ PIM3 Q86V86 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CSF1R P07333 7/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL20597905 0.93 CSF1R (0.44) PIM1PIM3CSF1RTSHRNPSR1
SCHEMBL20598587 0.91 CSF1R (0.49) NPC1RAB9APIM1PIM3HTT
SCHEMBL30501377 0.86 PIM1 (0.47) NPC1RAB9APIM1PIM3HTT
SCHEMBL20598665 0.86 PIM1 (0.47) NPC1RAB9APIM1PIM3HTT
SCHEMBL20598842 0.86 NPC1 (0.45) NPC1RAB9APIM1PIM3HTT
SCHEMBL20598607 0.85 CHEK1 (0.55) IRAK4
SCHEMBL20598148 0.85 MAPT (0.44) PIM1PIM3HTTMAPTTSHR
SCHEMBL20598114 0.84 WDR5 (0.44) PIM1PIM3HTTMAPTIRAK4
SCHEMBL20598423 0.84 PIM1 (0.46) NPC1RAB9APIM1PIM3MAPT
SCHEMBL20598729 0.83 CSF1R (0.49) NPC1RAB9APIM1PIM3HTT

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 NPC1 2113/4885RAB9A 3145/4885PIM1 188/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885PIM1 188/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1531/4885RAB9A 3101/4885PIM1 129/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885PIM1 188/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1370/4885RAB9A 2995/4885PIM1 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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