SCHEMBL270133

SCHEMBL270133

Cc1cnc(NC(C)(C)C)nc1Nc1cccc(NOO)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
EGFR P00533 10/20 0.48
BTK Q06187 6/20 0.48
JAK3 P52333 4/20 0.48
ITK Q08881 4/20 0.47
BRD4 O60885 4/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42

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
SCHEMBL270179 0.84 SYK (0.78) SYKEGFRBTKJAK3ITK
SCHEMBL270967 0.84 SYK (0.58) SYKEGFRBTKJAK3ITK
SCHEMBL270239 0.82 EGFR (0.58) SYKEGFRBTKJAK3ITK
SCHEMBL270436 0.82 SYK (0.59) SYKEGFRBTKITKBRD4
SCHEMBL270241 0.81 BRD4 (0.61) SYKEGFRBTKJAK3ITK
SCHEMBL270775 0.81 SYK (0.55) SYKEGFRBTKJAK3ITK
SCHEMBL270227 0.81 EGFR (0.55) SYKEGFRBTKJAK3ITK
SCHEMBL270190 0.81 EGFR (0.54) SYKEGFRBTKJAK3ITK
SCHEMBL270226 0.81 EGFR (0.62) SYKEGFRBTKJAK3ITK
SCHEMBL271089 0.80 EGFR (0.66) SYKEGFRBTKJAK3ITK

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SYK 59/4885EGFR 335/4885BTK 7/4885

“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.