SCHEMBL526620

SCHEMBL526620

O=C1COc2cc(Nc3ncc(F)c(Nc4ccc5oc(=O)[nH]c5c4)n3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.60
JAK3 P52333 16/20 0.60
SYK P43405 4/20 0.59
JAK2 O60674 7/20 0.54
CYP3A4 P08684 5/20 0.54
CYP1A2 P05177 2/20 0.51
TYK2 P29597 1/20 0.51

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
Formic Acid SCHEMBL524657 0.96 SYK (0.57) JAK1JAK3SYKJAK2CYP3A4
Formic Acid SCHEMBL29360088 0.96 SYK (0.57) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29609871 0.90 JAK1 (0.64) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341710 0.90 JAK1 (0.64) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL15389271 0.85 JAK1 (0.61) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389476 0.83 JAK1 (0.59) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610246 0.82 JAK1 (0.64) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL340841 0.82 JAK1 (0.64) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL656397 0.81 SYK (0.86) JAK1JAK3SYK
SCHEMBL657850 0.81 SYK (0.86) JAK1JAK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP claimed
EP-2598500-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP claimed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO claimed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK1 4796/4885JAK3 4792/4885SYK 4857/4885

“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.