SCHEMBL3929547

SCHEMBL3929547

Cc1cc(Nc2nc(N3CCC(c4cccnc4)C3)nc3cccn23)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.37
PAK4 O96013 2/20 0.36
JAK2 O60674 2/20 0.36
PLK4 O00444 1/20 0.35
RET P07949 2/20 0.35
PDE10A Q9Y233 1/20 0.35
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34
JAK1 P23458 1/20 0.34
ROCK2 O75116 2/20 0.33
NTRK1 P04629 1/20 0.33
GSK3B P49841 1/20 0.33
IGF1R P08069 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL3922274 0.90 RET (0.41) PAK1PAK4JAK2PLK4RET
SCHEMBL5144275 0.87 PDE10A (0.35) PDE10AROCK2GSK3B
SCHEMBL3926826 0.84 RET (0.40) PAK1PAK4JAK2PLK4RET
SCHEMBL3922738 0.83 PDE10A (0.35) PDE10AROCK2GSK3B
SCHEMBL3924292 0.83 PDE10A (0.35) PDE10AROCK2GSK3B
SCHEMBL3934604 0.83 PDCD1LG2 (0.34) PDE10AROCK2GSK3B
SCHEMBL3924561 0.83 PDE10A (0.33) PDE10AROCK2GSK3B
SCHEMBL3935553 0.82 PDE10A (0.36) PDE10AROCK2GSK3B
SCHEMBL3926958 0.82 PIM1 (0.36)
SCHEMBL3935098 0.82 AOC3 (0.34) JAK2PDE10AJAK3ROCK2

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 PAK1 529/4885PAK4 837/4885JAK2 1/4885

“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.