SCHEMBL3929260

SCHEMBL3929260

CC1CC1c1cc(Nc2nc(N3CCC(N)CC3)nc3cccn23)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 11/20 0.38
PAK1 Q13153 12/20 0.37
IDH2 P48735 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PIM1 P11309 1/20 0.32
DKK1 O94907 1/20 0.31

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
SCHEMBL3923615 0.89 PAK1 (0.40) PAK4PAK1IDH2IRAK4PIM1
SCHEMBL3931418 0.86 SUV39H2 (0.34)
SCHEMBL3922278 0.82 PDE10A (0.33)
SCHEMBL3924301 0.81 PAK4 (0.39) PAK4PAK1IDH2IRAK4
SCHEMBL3932218 0.79 DKK1 (0.36) PAK4PAK1PIM1DKK1
SCHEMBL3935548 0.78 PAK4 (0.37) PAK4PAK1IDH2IRAK4
SCHEMBL916719 0.78 POLB (0.36) PAK4IDH2
SCHEMBL3924562 0.77 JAK2 (0.48)
SCHEMBL3926065 0.76 PIK3CB (0.36)
SCHEMBL3923740 0.76 SMO (0.40)

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
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 PAK4 837/4885PAK1 529/4885IDH2 1972/4885

“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.