SCHEMBL20598698

SCHEMBL20598698

O=C(Nc1cc(C(F)(F)CN2CCOCC2)ccc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SRPK1 Q96SB4 3/20 0.48
▸ KDR P35968 1/20 0.47
▸ SRPK2 P78362 1/20 0.47
▸ SRPK3 Q9UPE1 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ PIM1 P11309 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
SCHEMBL30501466 1.00 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL20598556 0.86 CYP1A2 (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL20598685 0.84 CSF1R (0.49) ALDH1A1IRAK4PIM1PIM3
SCHEMBL30501470 0.84 CSF1R (0.49) ALDH1A1IRAK4PIM1PIM3
SCHEMBL20598102 0.83 IRAK4 (0.63) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL30501377 0.83 PIM1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL20598665 0.83 PIM1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL30501501 0.82 PIM1 (0.51) ALDH1A1KDM4ETSHRNPSR1HTT
SCHEMBL20598482 0.82 PIM1 (0.51) ALDH1A1KDM4ETSHRNPSR1HTT
SCHEMBL20598537 0.81 CYP1A2 (0.74) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 2414/4885HPGD 2341/4885KDM4E 1020/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885HPGD 2341/4885KDM4E 1020/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1343/4885HPGD 2145/4885KDM4E 1121/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885HPGD 2341/4885KDM4E 1020/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1328/4885HPGD 1800/4885KDM4E 1124/4885

“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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