SCHEMBL29840468

SCHEMBL29840468

Cc1nc(Br)sc1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
GPR119 Q8TDV5 4/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC1 Q13547 2/20 0.41
GRM2 Q14416 1/20 0.38
CCR2 P41597 2/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
RET P07949 2/20 0.36
SPR P35270 1/20 0.35
AR P10275 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL23306016 0.83
SCHEMBL21738004 0.79 PARP1 (0.44) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL21737995 0.79 PARP1 (0.44) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL31283824 0.77 GPR119 (0.51) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL9140080 0.75 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL9142006 0.75 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL9141998 0.75 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL9140076 0.75 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL9140087 0.75 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1GRM2
SCHEMBL1200061 0.75 GPR119 (0.61) PARP1GPR119HSD11B1HDAC1GRM2

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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
EP-4051388-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS Bristol-Myers Squibb Company (US) 2022-09-07 EP disclosed
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 CN 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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 PARP1 391/4885GPR119 77/4885HSD11B1 3831/4885

“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.