SCHEMBL20598482

SCHEMBL20598482

O=C(Nc1cc(N2CCOCC2)ccc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ BACE1 P56817 2/20 0.50
▸ CSF1R P07333 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ IRAK4 Q9NWZ3 5/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL30501501 1.00 PIM1 (0.51) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL30501448 0.92 NTRK1 (0.57) PIM1PIM3CSF1RTSHRALDH1A1
SCHEMBL20598735 0.92 NTRK1 (0.57) PIM1PIM3CSF1RTSHRALDH1A1
SCHEMBL20598031 0.85 TSHR (0.58) PIM1PIM3BACE1TSHRALDH1A1
SCHEMBL30501386 0.85 TSHR (0.58) PIM1PIM3BACE1TSHRALDH1A1
SCHEMBL20598685 0.85 CSF1R (0.49) PIM1PIM3BACE1CSF1RALDH1A1
SCHEMBL30501470 0.85 CSF1R (0.49) PIM1PIM3BACE1CSF1RALDH1A1
SCHEMBL20598729 0.84 CSF1R (0.49) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL20598665 0.84 PIM1 (0.47) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL30501377 0.84 PIM1 (0.47) PIM1PIM3BACE1CSF1RTSHR

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 14 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
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 PIM1 188/4885PIM3 326/4885BACE1 1221/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PIM1 188/4885PIM3 326/4885BACE1 1221/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 PIM1 129/4885PIM3 349/4885BACE1 1244/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PIM1 188/4885PIM3 326/4885BACE1 1221/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 PIM1 112/4885PIM3 296/4885BACE1 1067/4885

“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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