SCHEMBL23704524

SCHEMBL23704524

COC(=O)c1ccc(OC)c(CBr)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

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
SCHEMBL29550166 0.83 MAPK1 (0.42) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL23530068 0.83 MAPK1 (0.42) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL29133156 0.82 MAPT (0.43) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL28593925 0.81 GABRP (0.41) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL8825162 0.80 KDM4E (0.49) L3MBTL1KDM4EMAPK1MAPTCYP1A2
SCHEMBL22325482 0.79 CYP4A11 (0.47) L3MBTL1KDM4EMAPK1PTGER4MRGPRX4
SCHEMBL7107317 0.78 CTSA (0.47) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL7236303 0.78 CTSA (0.48) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL7226331 0.76 KDM4E (0.47) L3MBTL1KDM4EMAPK1GAAMAPT
SCHEMBL14918993 0.76 KDM4E (0.71) L3MBTL1KDM4EMAPK1MAPTCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 — — US disclosed
EP-4097102-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS Bristol-Myers Squibb Company (US) 2022-12-07 — — EP disclosed
CN-115210236-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-10-18 — — CN disclosed
WO-2021154661-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 — — 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-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 L3MBTL1 2808/4885KDM4E 2165/4885MAPK1 308/4885

“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.

Send feedback