SCHEMBL21737995

SCHEMBL21737995

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1nnc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
HSD11B1 P28845 1/20 0.42
HDAC1 Q13547 2/20 0.42
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
RET P07949 2/20 0.37
CCR2 P41597 2/20 0.35
GRM2 Q14416 1/20 0.35
SPR P35270 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
AR P10275 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL21738004 1.00 PARP1 (0.44) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL31283824 0.83 GPR119 (0.51) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL21737952 0.82 MAP3K12 (0.36)
SCHEMBL25858357 0.82 MAP3K12 (0.36)
SCHEMBL21737999 0.80 NR1H2 (0.41) GPR119HSD11B1ABL1BCRCHRM2
SCHEMBL29840468 0.79 PARP1 (0.45) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL21738044 0.78 CHRM2 (0.43) GPR119HSD11B1HDAC1RETSPR
SCHEMBL9140076 0.77 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL9142139 0.77 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL1199139 0.77 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1F13A1

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 3 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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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 (1 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 PARP1 866/4885GPR119 786/4885HSD11B1 851/4885

“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.