SCHEMBL3924561

SCHEMBL3924561

CC(C)c1cc(Nc2nc(N3CCC(c4cccnc4)C3)nc3cccn23)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
ROCK2 O75116 2/20 0.32
PDE9A O76083 1/20 0.32
SPR P35270 1/20 0.31
NUDT1 P36639 1/20 0.31
GSK3B P49841 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HSD11B1 P28845 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3935799 0.92 ROCK2 (0.32) PDE10AROCK2PDE9ANUDT1GSK3B
SCHEMBL5144275 0.90 PDE10A (0.35) PDE10AROCK2PDE9ASPRNUDT1
SCHEMBL3931577 0.88 PDCD1LG2 (0.33) PDE10APDE9ASPRPDCD1LG2CD274
SCHEMBL3922738 0.88 PDE10A (0.35) PDE10AROCK2SPRNUDT1GSK3B
SCHEMBL3924292 0.87 PDE10A (0.35) PDE10AROCK2SPRGSK3BPDCD1LG2
SCHEMBL3934604 0.87 PDCD1LG2 (0.34) PDE10AROCK2SPRGSK3BPDCD1LG2
SCHEMBL3926054 0.86 PDE10A (0.34) PDE10AROCK2SPRNUDT1PDCD1LG2
SCHEMBL3922278 0.86 PDE10A (0.33) PDE10AROCK2SPRGSK3BPDCD1LG2
SCHEMBL3935553 0.86 PDE10A (0.36) PDE10AROCK2SPRNUDT1GSK3B
SCHEMBL4000486 0.85 ROCK2 (0.37) PDE10AROCK2GSK3BMAPK1

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 PDE10A 3060/4885ROCK2 1126/4885PDE9A 4447/4885

“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.