SCHEMBL20598829

SCHEMBL20598829

O=C(Nc1cc(N2CCOCC2)ccc1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.72
▸ RAB9A P51151 5/20 0.72
▸ HTT P42858 4/20 0.68
▸ TSHR P16473 2/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ ALDH1A1 P00352 5/20 0.67
▸ MAPK10 P53779 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ CSF1R P07333 5/20 0.66
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ MAPT P10636 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ TP53 P04637 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64

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
SCHEMBL20598140 0.92 ALDH1A1 (0.67) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL20598518 0.85 NPC1 (0.66) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL13405637 0.85 CSF1R (0.90) CSF1R
SCHEMBL20598498 0.85 NPC1 (0.65) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL30501343 0.84 NPC1 (0.64) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL20598696 0.84 NPC1 (0.64) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL20598450 0.84 NPC1 (0.64) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL20598315 0.81 NPC1 (0.65) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL28379784 0.81 MAPK10 (0.74) NPC1RAB9AHTTTSHRNPSR1
SCHEMBL30501370 0.81 NPC1 (0.65) NPC1RAB9AHTTTSHRNPSR1

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 3145/4885HTT 3783/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885HTT 3783/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1531/4885RAB9A 3101/4885HTT 4542/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885HTT 3783/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1370/4885RAB9A 2995/4885HTT 4408/4885

“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.

Send feedback