SCHEMBL30353312

SCHEMBL30353312

CCCCOC(=O)N1CCC(Cn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.50
▸ JAK2 O60674 7/20 0.50
▸ JAK1 P23458 2/20 0.50
▸ FGFR1 P11362 2/20 0.47
▸ FGFR2 P21802 2/20 0.47
▸ FGFR3 P22607 2/20 0.47
▸ TGFBR1 P36897 2/20 0.46
▸ BTK Q06187 3/20 0.46
▸ ABL1 P00519 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL30405165 0.95 FGFR1 (0.49) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL30405629 0.87 JAK2 (0.54) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL14617314 0.84 TGFBR1 (0.62) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL30405231 0.84 TGFBR1 (0.62) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL23150464 0.82 JAK3 (0.59) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL30405232 0.79 MTOR (0.68) TGFBR1ABL1LCKKCNH2
SCHEMBL17267749 0.79 JAK2 (0.78) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL31046956 0.79 TGFBR1 (0.64) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL23150533 0.78 JAK2 (0.54) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL17936188 0.78 KCNH2 (0.56) JAK3JAK2JAK1ABL1LCK

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-20230093861-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2023-03-30 — — 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-20230093861-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR JAK3 2053/4885JAK2 445/4885JAK1 1747/4885

“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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