SCHEMBL21789372

SCHEMBL21789372

CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2nnn[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
GAA P10253 2/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
BTK Q06187 2/20 0.41
DRD2 P14416 4/20 0.40
PBK Q96KB5 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSK P43235 2/20 0.39
LIPG Q9Y5X9 1/20 0.37
DRD3 P35462 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
SCHEMBL28530478 1.00 JAK1 (0.45) JAK1JAK2TYK2JAK3GAA
SCHEMBL23852777 0.81 PBK (0.48) JAK1JAK2DRD2PBK
SCHEMBL21774872 0.79 EPHX1 (0.34) JAK1JAK2TYK2JAK3PBK
SCHEMBL21774870 0.79 EPHX1 (0.34) JAK1JAK2TYK2JAK3PBK
SCHEMBL12528085 0.78 CKS1B (0.47) JAK1JAK2TYK2JAK3GAA
SCHEMBL23108060 0.78 JAK1 (0.47) JAK1JAK2TYK2JAK3GAA
SCHEMBL30772750 0.78 JAK1 (0.49) JAK1JAK2TYK2JAK3GAA
SCHEMBL12193421 0.77 BTK (0.39) GAAKDM1AMAOBBTKEPHX1
SCHEMBL3702152 0.76 BTK (0.61) GAAKDM1AMAOBBTKDRD2
SCHEMBL10343938 0.76 BTK (0.61) GAAKDM1AMAOBBTKDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 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 (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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS JAK1 169/4885JAK2 137/4885TYK2 203/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS JAK1 169/4885JAK2 137/4885TYK2 203/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 JAK1 4543/4885JAK2 4667/4885TYK2 4161/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 JAK1 4543/4885JAK2 4667/4885TYK2 4161/4885

“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.