SCHEMBL25480032

SCHEMBL25480032

CNc1nc(NC(=O)OC)nc2cn[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CTNNB1 P35222 1/20 0.30
▸ TCF7L2 Q9NQB0 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
SCHEMBL23711614 0.83 PIK3C3 (0.40) PIK3C3TSHRMEN1HTTKMT2A
SCHEMBL23730602 0.81 TSHR (0.39) PIK3C3TSHR
SCHEMBL23718922 0.76 PIK3C3 (0.31) PIK3C3
SCHEMBL24992224 0.76 CD38 (0.33) PIK3C3
SCHEMBL25480031 0.71 — —
SCHEMBL26414317 0.69 MAPKAPK2 (0.37) TSHRMEN1KMT2A
SCHEMBL21644747 0.68 CASP6 (0.40) CTNNB1TCF7L2
SCHEMBL2910688 0.67 LMNA (0.47) TSHRMEN1HTTKMT2A
SCHEMBL23703901 0.66 PTK2 (0.33) HTT
SCHEMBL16386438 0.63 HTT (0.34) PIK3C3TSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 — — US disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 — — US 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 (2 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-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 PIK3C3 4347/4885TSHR 1289/4885MEN1 4476/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 PIK3C3 4328/4885TSHR 1285/4885MEN1 4524/4885

“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.

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