SCHEMBL21724896

SCHEMBL21724896

CC(C)Nc1ccnc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NTSR1 P30989 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 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
SCHEMBL17108502 0.78 UHRF1 (0.46) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL24127759 0.77 LOX (0.44) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL29909553 0.77
SCHEMBL19462006 0.77
SCHEMBL15749372 0.77 IDH1 (0.39) ARTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL28351906 0.76 AR (0.42) ARMAPTRAD52KMT2AALDH1A1
SCHEMBL12368480 0.76 SMARCA2 (0.47) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL12356608 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL30257685 0.76 NOS3 (0.47) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL27989136 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1POLBGAA

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 13 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-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
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
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 AR 2016/4885TDP1 463/4885RECQL 1116/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 AR 2188/4885TDP1 334/4885RECQL 1005/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 AR 2188/4885TDP1 334/4885RECQL 1005/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 AR 2016/4885TDP1 463/4885RECQL 1116/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 AR 2188/4885TDP1 334/4885RECQL 1005/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 AR 2188/4885TDP1 334/4885RECQL 1005/4885

“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.