SCHEMBL21774792

SCHEMBL21774792

CC(C)(C)OC(=O)N[C@H]1CC[C@](F)(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNA3 P22001 1/20 0.39
EPHX2 P34913 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD11B1 P28845 2/20 0.37
CYP2C9 P11712 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
SCHEMBL21724900 1.00 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL21724861 0.86 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL31532140 0.86 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL28535097 0.86 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL360739 0.85 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL25247298 0.84 BTK (0.49) BTKKDM1AMAOBCTSKGAA
SCHEMBL6418270 0.83 BTK (0.51) BTKKDM1AMAOBCTSKGAA
SCHEMBL572248 0.83 BTK (0.51) BTKKDM1AMAOBCTSKGAA
SCHEMBL12354755 0.81 BTK (0.47) BTKKDM1AMAOBCTSKGAA
SCHEMBL1137056 0.81 BTK (0.50) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
CN-112566697-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-26 CN disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS BTK 1916/4885KDM1A 2860/4885MAOB 276/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS BTK 1916/4885KDM1A 2860/4885MAOB 276/4885

“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.