SCHEMBL3933865

SCHEMBL3933865

Cc1cc(Nc2nc(N3CCC(c4cccc(Cl)c4)C3)nc3cccn23)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.36
ALDH1A1 P00352 2/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
ROCK2 O75116 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 2/20 0.32
PAK4 O96013 2/20 0.32
PAK1 Q13153 1/20 0.32
HSD11B1 P28845 1/20 0.32
CDK2 P24941 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
SCHEMBL3935055 0.91 CHIT1 (0.39) LMNAPAK4PAK1
SCHEMBL3930973 0.89 ROCK2 (0.44) ALDH1A1NR3C1NR3C2ROCK2DRD2
SCHEMBL5144275 0.87 PDE10A (0.35) PDE9AROCK2GRM2HSD11B1
SCHEMBL3921538 0.87 CYP3A4 (0.34) PDE9APAK4PAK1CDK2
SCHEMBL3931669 0.86 NAPEPLD (0.39) NR3C1ROCK2
SCHEMBL3920661 0.85 NPC1 (0.37) ALDH1A1NR3C1ROCK2GRM2LMNA
SCHEMBL3925912 0.82 PDE9A (0.34) PDE9AALDH1A1DRD2DRD4DRD3
SCHEMBL3923698 0.82 NAPEPLD (0.32)
SCHEMBL3935517 0.82 ROCK2 (0.34) ROCK2
SCHEMBL3926958 0.82 PIM1 (0.36) PDE9AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE9A 4447/4885ALDH1A1 3191/4885NR3C1 1274/4885

“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.