SCHEMBL306558

SCHEMBL306558

COc1cc(Nc2nc(Nc3ccc(-n4cccn4)cc3)ncc2C)ccc1I

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.55
SYK P43405 2/20 0.44
PKMYT1 Q99640 1/20 0.44
JAK2 O60674 2/20 0.43
CYP3A4 P08684 2/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
AURKA O14965 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL270357 0.89 BRD4 (0.67) BRD4
SCHEMBL13072390 0.84 BRD4 (0.48) BRD4SYKJAK2CYP3A4JAK1
Trifluoroacetic Acid SCHEMBL264264 0.81 BRD4 (0.57) BRD4SYK
SCHEMBL271484 0.81 BRD4 (0.52) BRD4SYKJAK1JAK3AURKA
SCHEMBL13637916 0.81 BRD4 (0.69) BRD4PKMYT1PDGFRBPDGFRA
SCHEMBL13638218 0.80 BRD4 (0.84) BRD4
SCHEMBL13638219 0.80 BRD4 (0.68) BRD4SYKPKMYT1JAK1JAK3
SCHEMBL264902 0.79 BRD4 (0.67) BRD4SYKJAK2JAK1JAK3
SCHEMBL14536086 0.77 JAK3 (0.63) BRD4SYKJAK2JAK1JAK3
SCHEMBL760139 0.75 BRD4 (0.61) BRD4

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 3 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
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 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 (2 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 BRD4 156/4885SYK 59/4885PKMYT1 1031/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885SYK 281/4885PKMYT1 470/4885

“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.