SCHEMBL21680693

SCHEMBL21680693

C[C@@H](Nc1cc(Cl)ncc1I)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
SYK P43405 9/20 0.34
SIRT6 Q8N6T7 1/20 0.34
PIK3CA P42336 1/20 0.33
NNMT P40261 1/20 0.32
HPGDS O60760 2/20 0.32
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL21680695 1.00 SCN9A (0.35) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL30669758 1.00 SCN9A (0.35) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL17374001 0.83 SYK (0.38) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL30627275 0.80 KAT2B (0.37)
SCHEMBL15110157 0.80 KAT2B (0.37)
SCHEMBL27039743 0.79 ALDH1A1 (0.41)
SCHEMBL27039744 0.79 ALDH1A1 (0.41)
SCHEMBL31661104 0.79 ALDH1A1 (0.41)
SCHEMBL31291010 0.76 SCN9A (0.39) SCN9AFPR2SYK
SCHEMBL27039419 0.76 SCN9A (0.39) SCN9AFPR2SYK

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 23 patents — showing the first 20. 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
CN-112533924-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2023-11-28 CN disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US 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-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
EP-3837259-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS Gilead Sciences, Inc. (US) 2021-06-23 EP 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
CN-112533924-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-19 CN disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 US disclosed
WO-2020036830-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
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
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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS SCN9A 3941/4885FPR2 2014/4885SYK 1498/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SCN9A 3832/4885FPR2 3429/4885SYK 39/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SCN9A 3832/4885FPR2 3429/4885SYK 39/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 SCN9A 3974/4885FPR2 3001/4885SYK 51/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS SCN9A 3941/4885FPR2 2014/4885SYK 1498/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SCN9A 3832/4885FPR2 3429/4885SYK 39/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SCN9A 3832/4885FPR2 3429/4885SYK 39/4885

“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.