SCHEMBL520056

SCHEMBL520056

COc1cc(C2=CCN(CC(N)=O)CC2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.53
QDPR P09417 3/20 0.52
SIGMAR1 Q99720 1/20 0.49
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL28108120 0.88 QDPR (0.51) SUV39H2QDPRSIGMAR1KDM4EMAPT
SCHEMBL521978 0.84 SUV39H2 (0.49) SUV39H2QDPRSIGMAR1CCNT1CDK9
SCHEMBL17197244 0.82 QDPR (0.76) SUV39H2QDPRCCNT1CDK9ALDH1A1
SCHEMBL12479581 0.82 QDPR (0.61) SUV39H2QDPRSIGMAR1KDM4EMAPT
SCHEMBL3436230 0.79 CCNT1 (0.47) SUV39H2SIGMAR1CCNT1CDK9KDM4E
SCHEMBL13178048 0.78 QDPR (0.57) SUV39H2QDPRSIGMAR1CCNT1CDK9
SCHEMBL16003507 0.77 QDPR (0.71) QDPRALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL2954440 0.77 QDPR (0.56) QDPR
SCHEMBL28365000 0.77 CCNT1 (0.51) QDPRSIGMAR1CCNT1CDK9
SCHEMBL3436192 0.77 CCNT1 (0.47) SUV39H2CCNT1CDK9KDM4EMAPT

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 SUV39H2 870/4885QDPR 807/4885SIGMAR1 4165/4885

“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.