SCHEMBL521610

SCHEMBL521610

COc1cc(C2CCN(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.51
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
QDPR P09417 1/20 0.43
USP30 Q70CQ3 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DTYMK P23919 1/20 0.40
STS P08842 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL30957975 0.89 PDE4B (0.62) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL310046 0.89 PDE4B (0.62) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL16530506 0.87 QDPR (0.46) PDE4BCHRM4CHRM3QDPRALDH1A1
SCHEMBL520643 0.86 PDE4B (0.46) PDE4BCHRM4CHRM3QDPR
SCHEMBL30761541 0.83 PDE4B (0.56) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL17410950 0.81 PDE4B (0.51) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL3317065 0.80 PDE4B (0.62) PDE4BQDPRUSP30NAMPTMEN1
SCHEMBL519815 0.80 ALK (0.51) PDE4BCHRM4CHRM3QDPR
SCHEMBL15755274 0.79 PDE4B (0.51) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL10206568 0.79 PDE4B (0.64) PDE4BUSP30PDE4APDE4CPDE4D

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 5 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
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 PDE4B 2705/4885CHRM2 4377/4885CHRM4 4347/4885

“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.