SCHEMBL16337111

SCHEMBL16337111

Cc1cnc(Nc2cnn(C)c2)nc1NCC1CCN(C(=O)CCC#N)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.55
JAK2 O60674 13/20 0.54
TYK2 P29597 6/20 0.48
JAK3 P52333 6/20 0.48
STAT3 P40763 3/20 0.48
KDR P35968 3/20 0.48
AURKB Q96GD4 3/20 0.48
ABL1 P00519 2/20 0.48
GSK3B P49841 2/20 0.48
AURKA O14965 1/20 0.44

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
SCHEMBL15056030 1.00 JAK1 (0.55) JAK1JAK2TYK2JAK3STAT3
SCHEMBL15058843 0.89 JAK3 (0.45) JAK1JAK2JAK3
SCHEMBL15058844 0.89 JAK3 (0.45) JAK1JAK2JAK3
SCHEMBL15056223 0.86 JAK1 (0.54) JAK1JAK2TYK2JAK3KDR
SCHEMBL15057045 0.86 JAK1 (0.54) JAK1JAK2TYK2JAK3KDR
SCHEMBL15056225 0.86 JAK1 (0.54) JAK1JAK2TYK2JAK3KDR
SCHEMBL15058428 0.83 JAK1 (0.66) JAK1JAK2TYK2JAK3AURKA
SCHEMBL15058427 0.83 JAK1 (0.66) JAK1JAK2TYK2JAK3AURKA
SCHEMBL15058589 0.82 JAK1 (0.54) JAK1JAK2TYK2JAK3STAT3
SCHEMBL15058430 0.81 JAK1 (0.53) JAK1JAK2TYK2JAK3AURKA

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-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US claimed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 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-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885TYK2 4/4885

“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.