SCHEMBL12321925

SCHEMBL12321925

NC(=O)c1cnc(Cl)cc1NCc1cccc2c(N)csc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 11/20 0.41
CYP3A4 P08684 2/20 0.40
RPS6KB1 P23443 7/20 0.40
AURKA O14965 5/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
AURKB Q96GD4 1/20 0.36
AKT1 P31749 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL12280689 0.86 CD38 (0.41) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL12280127 0.81 MAPK8 (0.42) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2483074 0.80 CD38 (0.57) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2474877 0.77 CD38 (0.54) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2478248 0.76 AURKA (0.54) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2477334 0.75 AURKA (0.51) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2476571 0.75 CD38 (0.54) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL12280679 0.75 JAK3 (0.46) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL2342817 0.74 SYK (0.42) CD38CYP3A4RPS6KB1AURKAJAK2
SCHEMBL12454564 0.74 CD38 (0.44) CD38CYP3A4RPS6KB1AURKAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 CD38 1118/4885CYP3A4 3849/4885RPS6KB1 1396/4885

“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.