SCHEMBL19975657

SCHEMBL19975657

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)n(CO[PH](=O)O)c4c3)n2)cc(C)c1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 13/20 0.60
▸ JAK3 P52333 13/20 0.60
▸ JAK2 O60674 11/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ TYK2 P29597 1/20 0.60
▸ CYP3A4 P08684 8/20 0.49
▸ BRD4 O60885 6/20 0.40
▸ EGFR P00533 1/20 0.39

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
SCHEMBL29609671 0.90 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL524757 0.90 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL525125 0.89 JAK1 (0.59) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL341026 0.89 JAK1 (0.59) JAK1JAK3JAK2CYP1A2TYK2
Calcium SCHEMBL29358619 0.89 JAK1 (0.59) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL17236302 0.89 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL10177169 0.88 JAK1 (0.46) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL2990449 0.88 JAK1 (0.61) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL10177144 0.87 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29358675 0.87 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2

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-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 — — US disclosed
US-9920041-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-03-20 — — 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 (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-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885

“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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