SCHEMBL21797678

SCHEMBL21797678

CC(=O)N[C@H]1[C@@H]2CC[C@H]1CN(c1nnc(Br)s1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.41
ACACB O00763 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CACNA2D1 P54289 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL21738014 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL21797680 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL21738050 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL30843360 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21797357 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21797358 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21738019 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21738025 0.92 GLS (0.39) GLSACACBMEN1POLBKMT2A
SCHEMBL21738234 0.92 GLS (0.39) GLSACACBMEN1POLBKMT2A
SCHEMBL21725085 0.89 GLS (0.38) GLSACACBALDH1A1RAB9A

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-12060351-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2024-08-13 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-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-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-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 GLS 2363/4885ACACB 2778/4885MEN1 2537/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 GLS 2423/4885ACACB 2815/4885MEN1 2601/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 GLS 2423/4885ACACB 2815/4885MEN1 2601/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 GLS 2363/4885ACACB 2778/4885MEN1 2537/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 GLS 2423/4885ACACB 2815/4885MEN1 2601/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 GLS 2423/4885ACACB 2815/4885MEN1 2601/4885

“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.