SCHEMBL13398161

SCHEMBL13398161

COCCNC(=O)C(=O)Nc1nn([C@@H]2CCCC[C@H]2C)c2c1cnc1[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.44
JAK2 O60674 18/20 0.44
JAK3 P52333 18/20 0.44
TYK2 P29597 11/20 0.43
NUAK1 O60285 1/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
NUAK2 Q9H093 1/20 0.38
BMP2K Q9NSY1 1/20 0.38

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
SCHEMBL3313058 1.00 JAK1 (0.44) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL13398091 0.90 JAK2 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL13398348 0.90 JAK1 (0.47) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL3314606 0.90 JAK1 (0.46) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL13398325 0.87 JAK3 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL13398350 0.86 JAK2 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL13398110 0.85 JAK1 (0.53) JAK1JAK2JAK3TYK2
SCHEMBL13398336 0.84 JAK3 (0.58) JAK1JAK2JAK3TYK2NUAK2
SCHEMBL13398366 0.84 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL13398296 0.82 JAK3 (0.43) 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.