SCHEMBL13398232

SCHEMBL13398232

CNC(=O)C(=O)Nc1nn([C@@H]2CCC[C@@H](C(N)=O)C2)c2c1cnc1[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.42
JAK2 O60674 15/20 0.42
JAK3 P52333 12/20 0.42
TYK2 P29597 5/20 0.42
PBK Q96KB5 1/20 0.39
AURKA O14965 1/20 0.39
PRKCA P17252 1/20 0.39
KDR P35968 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
SCHEMBL13398352 0.88 JAK1 (0.47) JAK1JAK2JAK3TYK2AURKA
SCHEMBL13398364 0.87 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL13398084 0.82 JAK1 (0.48) JAK1JAK2JAK3TYK2
Hydrochloric Acid SCHEMBL3314155 0.81 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL13398350 0.79 JAK2 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL13398351 0.78 JAK1 (0.53) JAK1JAK2JAK3TYK2
SCHEMBL3312502 0.76 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL13398206 0.75 JAK1 (0.59) JAK1JAK2JAK3TYK2
SCHEMBL3311337 0.75 JAK2 (0.44) JAK1JAK2JAK3TYK2
SCHEMBL3311412 0.75 JAK2 (0.44) JAK1JAK2JAK3TYK2

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 JAK1 3/4885JAK2 5/4885JAK3 1/4885

“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.