SCHEMBL20598769

SCHEMBL20598769

O=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ TSHR P16473 3/20 0.61
▸ MAPK10 P53779 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ NPC1 O15118 8/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ CSF1R P07333 2/20 0.59
▸ HTT P42858 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ GAA P10253 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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 0.82 ALDH1A1 (0.67) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL20598458 0.82 IRAK4 (0.50) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL20598829 0.81 NPC1 (0.72) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL20598489 0.80 IRAK4 (0.50) ALDH1A1TSHRL3MBTL1NPSR1CYP1A2
SCHEMBL30501365 0.80 IRAK4 (0.50) ALDH1A1TSHRL3MBTL1NPSR1CYP1A2
SCHEMBL20598394 0.79 PIM1 (0.53) TSHRHTTMAPTL3MBTL1CYP1A2
SCHEMBL20598407 0.79 NPC1 (0.63) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL28379784 0.78 MAPK10 (0.74) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL20598198 0.78 CSF1R (0.62) ALDH1A1TSHRMAPK10HPGDNPC1
SCHEMBL20598528 0.77 CSF1R (0.61) ALDH1A1TSHRMAPK10HPGDNPC1

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 13 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
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
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 ALDH1A1 2414/4885TSHR 4144/4885MAPK10 295/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885TSHR 4144/4885MAPK10 295/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1343/4885TSHR 3885/4885MAPK10 185/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885TSHR 4144/4885MAPK10 295/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1328/4885TSHR 4011/4885MAPK10 195/4885

“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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