SCHEMBL3935548

SCHEMBL3935548

NC1CCN(c2nc(Nc3cc(OCC4CC4)n[nH]3)n3cccc3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 9/20 0.37
LRRK2 Q5S007 3/20 0.36
PAK1 Q13153 11/20 0.35
KHK P50053 1/20 0.33
IDH2 P48735 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL3924580 0.86 LRRK2 (0.40) LRRK2
SCHEMBL3923615 0.81 PAK1 (0.40) PAK4PAK1IDH2IRAK4
SCHEMBL3924301 0.79 PAK4 (0.39) PAK4PAK1IDH2IRAK4
SCHEMBL3929260 0.78 PAK4 (0.38) PAK4PAK1IDH2IRAK4
SCHEMBL3920930 0.78 JAK2 (0.44)
SCHEMBL3932218 0.75 DKK1 (0.36) PAK4PAK1KHK
SCHEMBL3928058 0.71 RBP4 (0.38) KHK
SCHEMBL916719 0.71 POLB (0.36) PAK4IDH2
SCHEMBL1722967 0.70 JAK2 (0.42) PAK4IDH2
SCHEMBL3922462 0.70 PAK4 (0.31) PAK4PAK1

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 5 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
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO 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 837/4885LRRK2 937/4885PAK1 529/4885

“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.