SCHEMBL26414317

SCHEMBL26414317

CC(C)(C)OC(=O)Nc1nc(N)c2[nH]ncc2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 11/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ TSHR P16473 2/20 0.34
▸ FSHR P23945 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ SYK P43405 1/20 0.32

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 0.71 PIK3C3 (0.40) TSHRMEN1RAB9AKMT2A
SCHEMBL20542063 0.71 CA1 (0.40) MAPKAPK2MAP4K4TSHRMEN1KMT2A
SCHEMBL25480032 0.69 PIK3C3 (0.38) TSHRMEN1KMT2A
SCHEMBL14854850 0.68 TSHR (0.43) MAPKAPK2MAP4K4TSHRFSHRCA1
SCHEMBL23094457 0.68 TKT (0.48) MAPKAPK2MAP4K4TSHRFSHRSYK
SCHEMBL20087958 0.67 ATR (0.44) MAPKAPK2GSK3BDYRK1AMEN1NPC1
SCHEMBL7050966 0.67 LCK (0.40) MAP4K4GSK3BDYRK1AMEN1NPC1
SCHEMBL28255203 0.66 CTSK (0.40) NPC1RAB9ACA1CA2NAMPT
SCHEMBL21450373 0.66 MAPKAPK2 (0.47) MAPKAPK2MAP4K4GSK3BDYRK1A
SCHEMBL5838255 0.65 ATR (0.47) MAPKAPK2MAP4K4TSHRFSHRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — 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 (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-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 MAPKAPK2 551/4885MAP4K4 685/4885TSHR 1235/4885

“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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