SCHEMBL21707215

SCHEMBL21707215

COC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.40
DRD2 P14416 3/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
PBK Q96KB5 1/20 0.37

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
SCHEMBL28551553 1.00 BTK (0.47) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL18534331 0.83 EPHX1 (0.52) BTKKMT2AEPHX1KDM1AMAOB
SCHEMBL21162056 0.82 BTK (0.50) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL30751135 0.82 BTK (0.50) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL28527474 0.81 BTK (0.56) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL22637427 0.81 EPHX1 (0.43) BTKKMT2AEPHX1DRD2GAA
SCHEMBL24449526 0.80 BTK (0.51) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL21680652 0.80 TSHR (0.36) KMT2AEPHX1EPHX2
SCHEMBL17754506 0.80 BTK (0.51) BTKKMT2AL3MBTL1EPHX1KDM1A
SCHEMBL24448956 0.80 BTK (0.51) BTKKMT2AL3MBTL1EPHX1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
CN-112533924-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-19 CN disclosed
WO-2020036830-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 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 (2 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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS BTK 1916/4885KMT2A 3307/4885L3MBTL1 3774/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS BTK 1916/4885KMT2A 3307/4885L3MBTL1 3774/4885

“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.