SCHEMBL21714335

SCHEMBL21714335

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(c3ncnc4[nH]ccc34)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 14/20 0.61
▸ JAK2 O60674 11/20 0.61
▸ JAK3 P52333 7/20 0.61
▸ TYK2 P29597 5/20 0.61
▸ ATR Q13535 4/20 0.49
▸ ATRIP Q8WXE1 4/20 0.49

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
SCHEMBL21714165 0.85 JAK1 (0.59) JAK1JAK2JAK3TYK2ATR
SCHEMBL28345574 0.81 JAK1 (0.70) JAK1JAK2JAK3TYK2ATR
SCHEMBL21714463 0.80 CCNT1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL23153249 0.79 JAK2 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL21714188 0.77 HSD11B1 (0.54) JAK1JAK2JAK3TYK2
SCHEMBL16477352 0.76 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL21714258 0.76 GPR119 (0.42) JAK1JAK2JAK3TYK2
SCHEMBL23029209 0.76 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL14697120 0.75 JAK3 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL30945082 0.75 JAK1 (0.61) JAK1JAK2JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US claimed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 — — US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 — — 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO JAK1 119/4885JAK2 143/4885JAK3 196/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO JAK1 107/4885JAK2 148/4885JAK3 181/4885

“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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