SCHEMBL18289976

SCHEMBL18289976

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.40
▸ BTK Q06187 3/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ PRMT5 O14744 3/20 0.38
▸ SRC P12931 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ CTSE P14091 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL30111801 1.00 HTR6 (0.40) HTR6HCAR1BTKSLC2A1PRMT5
SCHEMBL18645213 0.92 HTR6 (0.47) HTR6HCAR1BTKPRMT5HPGDS
SCHEMBL18285527 0.90 OPRM1 (0.40) BTKOPRM1ALDH1A1HRH1HRH4
SCHEMBL18285521 0.90 OPRM1 (0.40) BTKOPRM1ALDH1A1HRH1HRH4
SCHEMBL29737046 0.88 SLC2A1 (0.36) SLC2A1SRCOPRM1CTSDCTSE
SCHEMBL18644664 0.87 JAK2 (0.49) HTR6HCAR1BTKSRCHPGDS
SCHEMBL31280171 0.87 SLC2A1 (0.35) SLC2A1SRCOPRM1CTSDCTSE
SCHEMBL32664297 0.87 SLC2A1 (0.35) SLC2A1SRCOPRM1CTSDCTSE
SCHEMBL32664570 0.87 SLC2A1 (0.35) SLC2A1SRCOPRM1CTSDCTSE
SCHEMBL31279004 0.87 SLC2A1 (0.35) SLC2A1SRCOPRM1CTSDCTSE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 — — US disclosed
EP-4112618-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2023-01-04 — — EP disclosed
EP-3912979-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2021-11-24 — — EP disclosed
US-20210171526-A1 Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-06-10 — — US disclosed
EP-3303334-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-06-02 — — EP disclosed
US-20180162861-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-06-14 — — US disclosed
US-9688676-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2017-06-27 — — US disclosed
US-20170129890-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2017-05-11 — — US disclosed
WO-2016196840-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-08 — — WO 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 (4 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-20210171526-A1 Tyrosine Kinase Inhibitors BTK, LYN, SYK HTR6 4214/4885HCAR1 4128/4885BTK 1/4885
US-20180162861-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK HTR6 4214/4885HCAR1 4128/4885BTK 1/4885
US-20170129890-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK HTR6 4214/4885HCAR1 4128/4885BTK 1/4885
US-20230151012-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK HTR6 4214/4885HCAR1 4128/4885BTK 1/4885

“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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