SCHEMBL2338853

SCHEMBL2338853

Cn1ccc2c(CNc3cc(Cl)ncc3C(N)=O)cccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.49
CD38 P28907 4/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL12280488 0.84 CD38 (0.41) SYKCD38CYP3A4
SCHEMBL2483074 0.81 CD38 (0.57) CD38CYP3A4
SCHEMBL2694988 0.79 JAK3 (0.50) SYK
SCHEMBL12280094 0.79 SMN1; SMN2 (0.42) SYKCYP3A4
SCHEMBL12280125 0.79 TRPV1 (0.46) SYK
SCHEMBL12280297 0.79 JAK3 (0.41) SYKCD38
SCHEMBL2476571 0.78 CD38 (0.54) SYKCD38CYP3A4
SCHEMBL2474877 0.78 CD38 (0.54) CD38CYP3A4
SCHEMBL2694637 0.78 JAK3 (0.52) SYK
SCHEMBL2342817 0.77 SYK (0.42) SYKCD38CYP3A4

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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 SYK 492/4885CD38 1118/4885CYP3A4 3849/4885

“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.