SCHEMBL20598682

SCHEMBL20598682

O=C(Nc1ccc(C(=O)N2CCOCC2)cc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ IRAK4 Q9NWZ3 4/20 0.46
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LRRK2 Q5S007 3/20 0.45
▸ ATR Q13535 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL30501390 1.00 TSHR (0.49) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501386 0.93 TSHR (0.58) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598031 0.93 TSHR (0.58) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598735 0.85 NTRK1 (0.57) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501448 0.85 NTRK1 (0.57) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598372 0.85 TSHR (0.49) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501479 0.84 PIM1 (0.46) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598360 0.84 PIM1 (0.46) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598757 0.82 PIM1 (0.48) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501336 0.82 PIM1 (0.48) TSHRPIM1PIM3ALDH1A1KMT2A

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 TSHR 4144/4885PIM1 188/4885PIM3 326/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 TSHR 4144/4885PIM1 188/4885PIM3 326/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 TSHR 3885/4885PIM1 129/4885PIM3 349/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 TSHR 4144/4885PIM1 188/4885PIM3 326/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 TSHR 4011/4885PIM1 112/4885PIM3 296/4885

“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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