SCHEMBL3312502

SCHEMBL3312502

CNC(=O)C(=O)Nc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c2c1cnc1[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.51
JAK2 O60674 5/20 0.51
TYK2 P29597 4/20 0.51
JAK3 P52333 3/20 0.51
NR3C1 P04150 3/20 0.42
CYP3A4 P08684 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13398084 0.84 JAK1 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL13398352 0.84 JAK1 (0.47) JAK1JAK2TYK2JAK3
Hydrochloric Acid SCHEMBL3314155 0.84 JAK1 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL13398364 0.83 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL13398206 0.82 JAK1 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL13398410 0.77 JAK3 (0.46) JAK1JAK2TYK2JAK3
SCHEMBL3312932 0.76 JAK3 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL3315303 0.76 JAK3 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL13398232 0.76 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL2274036 0.75 JAK1 (0.72) JAK1JAK2TYK2JAK3

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
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
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 3/4885JAK2 5/4885TYK2 30/4885

“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.