SCHEMBL3920916

SCHEMBL3920916

COc1ncccc1C1CCN(c2nc(Nc3cc(C)n[nH]3)n3cccc3n2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.34
PDE10A Q9Y233 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
PTK2 Q05397 2/20 0.32
ROCK2 O75116 1/20 0.31
CARM1 Q86X55 1/20 0.31
CHRM4 P08173 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
SCHEMBL3926925 0.88 IGF1R (0.32) ROCK2
SCHEMBL3925912 0.85 PDE9A (0.34)
SCHEMBL3920661 0.84 NPC1 (0.37) ROCK2
SCHEMBL3935517 0.83 ROCK2 (0.34) ROCK2CHRM4
SCHEMBL3922462 0.83 PAK4 (0.31) ROCK2
SCHEMBL3930973 0.83 ROCK2 (0.44) ROCK2
SCHEMBL5144275 0.82 PDE10A (0.35) PDE10AROCK2
SCHEMBL3935055 0.81 CHIT1 (0.39)
SCHEMBL3921538 0.80 CYP3A4 (0.34)
SCHEMBL3933865 0.80 PDE9A (0.36) ROCK2

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 NTSR1 276/4885PDE10A 3060/4885JAK2 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.