SCHEMBL21707307

SCHEMBL21707307

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
GAA P10253 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CTSK P43235 2/20 0.39
EPHX1 P07099 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DRD2 P14416 4/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD3 P35462 1/20 0.35

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
SCHEMBL29518936 1.00 BTK (0.45) BTKGAAKDM1AMAOBCTSK
SCHEMBL28913076 0.83 BTK (0.52) BTKGAAKDM1AMAOBCTSK
SCHEMBL28913072 0.83 BTK (0.52) BTKGAAKDM1AMAOBCTSK
SCHEMBL30216251 0.83 BTK (0.49) BTKGAAKDM1AMAOBCTSK
SCHEMBL29988140 0.82 BTK (0.46) BTKGAAKDM1AMAOBCTSK
SCHEMBL15805658 0.82 BTK (0.48) BTKGAAKDM1AMAOBCTSK
SCHEMBL982187 0.81 BTK (0.55) BTKGAAKDM1AMAOBCTSK
SCHEMBL982185 0.81 BTK (0.55) BTKGAAKDM1AMAOBCTSK
SCHEMBL29987862 0.80 BTK (0.47) BTKGAAKDM1AMAOBCTSK
SCHEMBL25326419 0.78 BTK (0.53) BTKGAAKDM1AMAOBCTSK

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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
WO-2020036986-A1 THIADIAZOLE 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 (7 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 BTK 32/4885GAA 3202/4885KDM1A 795/4885
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS BTK 1916/4885GAA 660/4885KDM1A 2860/4885
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS BTK 1916/4885GAA 660/4885KDM1A 2860/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS BTK 1916/4885GAA 660/4885KDM1A 2860/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 BTK 21/4885GAA 2855/4885KDM1A 509/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS BTK 1916/4885GAA 660/4885KDM1A 2860/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 BTK 21/4885GAA 2855/4885KDM1A 509/4885

“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.