SCHEMBL3321628

SCHEMBL3321628

Cn1c(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c2n1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.33
JAK3 P52333 2/20 0.33
JAK2 O60674 2/20 0.33
TNF P01375 9/20 0.33
LITAF Q99732 9/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDE4B Q07343 3/20 0.32
PDE4D Q08499 3/20 0.32
DGAT1 O75907 3/20 0.31
NPC1 O15118 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
SCHEMBL13398127 1.00 JAK1 (0.33) JAK1JAK3JAK2TNFLITAF
SCHEMBL13398140 0.88 TNF (0.32) JAK1JAK3JAK2TNFLITAF
SCHEMBL14697426 0.82 JAK2 (0.34) JAK1JAK3JAK2TNFLITAF
SCHEMBL14697153 0.81 KDM4E (0.35) JAK1JAK3JAK2BRD4CREBBP
SCHEMBL3314301 0.81 BRD4 (0.34) BRD4CREBBP
SCHEMBL14697235 0.80 JAK1 (0.38) JAK1JAK3JAK2TNFLITAF
SCHEMBL20944715 0.79 JAK2 (0.55) JAK1JAK3JAK2TNFLITAF
SCHEMBL20944562 0.79 JAK2 (0.55) JAK1JAK3JAK2TNFLITAF
SCHEMBL20944680 0.79 JAK2 (0.55) JAK1JAK3JAK2TNFLITAF
SCHEMBL2315569 0.79 JAK2 (0.49) JAK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 EP 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 JAK1 3/4885JAK3 1/4885JAK2 5/4885

“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.