SCHEMBL520175

SCHEMBL520175

CC(O)CN1CCN(c2ccccc2N)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
DRD3 P35462 4/20 0.62
ADRA2C P18825 2/20 0.57
HSP90AB1 P08238 1/20 0.53
KEAP1 Q14145 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.45
IGF1R P08069 3/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL10849611 0.84 DRD2 (0.62) DRD2DRD3HSP90AB1
SCHEMBL11105049 0.81 DRD2 (0.59) DRD2DRD3ADRA2CMEN1KMT2A
SCHEMBL30547268 0.80 RECQL (0.68) DRD2DRD3ADRA2CMEN1USP2
SCHEMBL11626341 0.80 RECQL (0.68) DRD2DRD3ADRA2CMEN1USP2
SCHEMBL17764863 0.80 ADRA2C (0.65) DRD2DRD3ADRA2CKEAP1MEN1
SCHEMBL23152040 0.78 ADRA2C (0.79) DRD2DRD3ADRA2CHSP90AB1KEAP1
SCHEMBL11775877 0.78 ADRA2C (0.79) DRD2DRD3ADRA2CHSP90AB1KEAP1
SCHEMBL11622263 0.78 ALDH1A1 (0.68) DRD2DRD3ADRA2CMEN1GAA
SCHEMBL15540352 0.77 DRD2 (0.48) DRD2DRD3HSP90AB1MEN1GAA
Hydrochloric Acid SCHEMBL11754729 0.77 ALDH1A1 (0.66) DRD2DRD3ADRA2CMEN1GAA

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-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 DRD2 2358/4885DRD3 3026/4885ADRA2C 3907/4885

“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.