SCHEMBL26414379

SCHEMBL26414379

CC(C)(C)OC(=O)Nc1nc(NCc2noc(C3CC3)n2)c2[nH]ncc2n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ EPHA2 P29317 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ GFER P55789 1/20 0.30
▸ APP P05067 1/20 0.30
▸ ACHE P22303 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
SCHEMBL23718922 0.77 PIK3C3 (0.31) APPACHE
SCHEMBL26414317 0.69 MAPKAPK2 (0.37) SYKMAPKAPK2
SCHEMBL24992224 0.66 CD38 (0.33) —
SCHEMBL23730602 0.64 TSHR (0.39) CYP1A2
SCHEMBL25480032 0.64 PIK3C3 (0.38) —
SCHEMBL29176596 0.60 CYP1A2 (0.44) CYP1A2EPHA2KDREPHB4GFER
SCHEMBL29176594 0.60 CYP1A2 (0.44) CYP1A2EPHA2KDREPHB4GFER
SCHEMBL6259631 0.59 CNR2 (0.35) SMO
SCHEMBL14376058 0.59 KMT2A (0.53) —
SCHEMBL8252188 0.59 ACACB (0.48) —

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 CYP1A2 3839/4885IGF1R 1000/4885SYK 268/4885

“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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