SCHEMBL522106

SCHEMBL522106

COc1c(N)ccc2c1CN(C1CCN(C)CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD1 P21728 12/20 0.36
DRD2 P14416 10/20 0.36
DRD3 P35462 7/20 0.36
F3 P13726 5/20 0.36
DRD5 P21918 5/20 0.36
SIGMAR1 Q99720 3/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.34
DRD4 P21917 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ACHE P22303 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
SCHEMBL520464 0.82 DRD1 (0.35) GAADRD1DRD2DRD3F3
SCHEMBL2062093 0.77 ALK (0.40) SIGMAR1
SCHEMBL2060265 0.77 ALK (0.41) SIGMAR1
SCHEMBL520586 0.72 MAOA (0.45) DRD1DRD2DRD3DRD5DRD4
SCHEMBL16571330 0.71 ALK (0.43) SIGMAR1
SCHEMBL2061367 0.70 HTR2C (0.38) SMN1; SMN2SIGMAR1
SCHEMBL2061719 0.69 ALK (0.42)
SCHEMBL22587670 0.69 FGFR3 (0.39) GAA
SCHEMBL521323 0.69 ALK (0.42)
SCHEMBL15651707 0.69 PNMT (0.36) GAASMN1; SMN2

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 GAA 3085/4885SMN1; SMN2 4722/4885DRD1 2934/4885

“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.