SCHEMBL21724735

SCHEMBL21724735

NC1C2COCC1CN(Cc1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.57
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
GRIN2B Q13224 2/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GBA1 P04062 1/20 0.45

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
SCHEMBL18517577 0.90 FUCA1 (0.65) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL742892 0.90 FUCA1 (0.65) FUCA1DRD2DRD3GRIN2BS1PR1
Hydrochloric Acid SCHEMBL11771300 0.88 FUCA1 (0.62) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL22784542 0.85 FUCA1 (0.69) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL22784440 0.85 FUCA1 (0.69) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL15996691 0.85 FUCA1 (0.69) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL758420 0.85 FUCA1 (0.69) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL288640 0.85 FUCA1 (0.69) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL21777260 0.84 FUCA1 (0.53) FUCA1DRD2DRD3GRIN2BSIGMAR1
SCHEMBL21777836 0.84 FUCA1 (0.53) FUCA1DRD2DRD3GRIN2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060351-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2024-08-13 US disclosed
CN-112566915-B Thiadiazole IRAK4 inhibitors 吉利德科学公司 2024-04-09 CN disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-03-31 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
EP-3837261-A1 THIADIAZOLE IRAK4 INHIBITORS Gilead Sciences, Inc. (US) 2021-06-23 EP disclosed
CN-112566915-A Thiadiazole IRAK4 inhibitor 吉利德科学公司 2021-03-26 CN disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 US disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 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 (6 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 FUCA1 4525/4885DRD2 3478/4885DRD3 3497/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 FUCA1 4428/4885DRD2 3676/4885DRD3 3666/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 FUCA1 4428/4885DRD2 3676/4885DRD3 3666/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 FUCA1 4525/4885DRD2 3478/4885DRD3 3497/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 FUCA1 4428/4885DRD2 3676/4885DRD3 3666/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 FUCA1 4428/4885DRD2 3676/4885DRD3 3666/4885

“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.