SCHEMBL3926054

SCHEMBL3926054

c1cncc(C2CCN(c3nc(Nc4cc(C5CCC5)n[nH]4)n4cccc4n3)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
SPR P35270 1/20 0.33
CYP11B2 P19099 1/20 0.33
ROCK2 O75116 2/20 0.33
HSD11B1 P28845 2/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
GBA1 P04062 1/20 0.32
NUDT1 P36639 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
NAMPT P43490 1/20 0.31
PDE4D Q08499 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
SCHEMBL3922738 0.97 PDE10A (0.35) PDE10ASPRROCK2HSD11B1PIM1
SCHEMBL3922278 0.90 PDE10A (0.33) PDE10ASPRROCK2PDCD1LG2CD274
SCHEMBL5144275 0.89 PDE10A (0.35) PDE10ASPRROCK2HSD11B1PIM1
SCHEMBL3921889 0.89 ROCK2 (0.34) PDE10ASPRROCK2PIM1PIM2
SCHEMBL4000486 0.88 ROCK2 (0.37) PDE10AROCK2GBA1
SCHEMBL3926958 0.88 PIM1 (0.36) SPRCYP11B2PIM1PIM2GBA1
SCHEMBL3928070 0.87 ROCK2 (0.37) ROCK2
SCHEMBL3924292 0.86 PDE10A (0.35) PDE10ASPRROCK2HSD11B1PIM1
SCHEMBL3924561 0.86 PDE10A (0.33) PDE10ASPRROCK2HSD11B1PIM1
SCHEMBL3934604 0.86 PDCD1LG2 (0.34) PDE10ASPRROCK2HSD11B1PIM1

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 3060/4885SPR 3860/4885CYP11B2 2108/4885

“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.