SCHEMBL13637916

SCHEMBL13637916

COc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1I

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.69
PKMYT1 Q99640 1/20 0.56
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52

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
SCHEMBL13638219 0.91 BRD4 (0.68) BRD4PKMYT1CDK4CCND1CCNE1
SCHEMBL13638218 0.91 BRD4 (0.84) BRD4
SCHEMBL265286 0.88 BRD4 (0.84) BRD4
SCHEMBL300559 0.82 BRD4 (0.64) BRD4CDK4PDGFRBPDGFRA
SCHEMBL17526080 0.82 BRD4 (1.00) BRD4
SCHEMBL30306426 0.82 BRD4 (1.00) BRD4
SCHEMBL306558 0.81 BRD4 (0.55) BRD4PKMYT1PDGFRBPDGFRA
SCHEMBL271227 0.81 BRD4 (0.66) BRD4CDK2PDGFRBPDGFRA
SCHEMBL270973 0.80 BRD4 (0.71) BRD4
SCHEMBL265038 0.80 BRD4 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 156/4885PKMYT1 1031/4885CDK4 443/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885PKMYT1 470/4885CDK4 117/4885

“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.