SCHEMBL13398178

SCHEMBL13398178

C[C@@H]1CCN(C(=O)C2(C#N)CC2)C[C@@H]1n1nc(NC(=O)C(=O)NCC2CC2)c2cnc3[nH]ccc3c21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.49
JAK1 P23458 18/20 0.49
JAK2 O60674 18/20 0.47
TYK2 P29597 7/20 0.46

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
SCHEMBL3314418 0.89 JAK3 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL3314422 0.88 JAK3 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL13398292 0.87 JAK2 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL13398303 0.87 JAK2 (0.46) JAK3JAK1JAK2TYK2
SCHEMBL13418130 0.84 JAK3 (0.44) JAK3JAK1JAK2TYK2
SCHEMBL13398409 0.82 JAK3 (0.52) JAK3JAK1JAK2TYK2
SCHEMBL3311071 0.82 JAK3 (0.56) JAK3JAK1JAK2TYK2
SCHEMBL13398227 0.82 JAK3 (0.65) JAK3JAK1JAK2TYK2
SCHEMBL13398375 0.81 JAK3 (0.50) JAK3JAK1JAK2TYK2
SCHEMBL13397961 0.81 JAK1 (0.55) JAK3JAK1JAK2TYK2

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-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

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 JAK3 1/4885JAK1 3/4885JAK2 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.