SCHEMBL521648

SCHEMBL521648

COc1cc(C2=CCN(CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.47
CCNT1 O60563 3/20 0.47
QDPR P09417 2/20 0.44
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
CHEK1 O14757 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL519881 0.87 QDPR (0.43) CDK9CCNT1QDPRSIGMAR1KDM4E
SCHEMBL521978 0.86 SUV39H2 (0.49) CDK9CCNT1QDPRSIGMAR1KDM4E
SCHEMBL30957987 0.85 QDPR (0.52) QDPRALDH1A1LMNAMAPT
SCHEMBL520721 0.85 QDPR (0.52) QDPRALDH1A1LMNAMAPT
SCHEMBL311532 0.81 SIGMAR1 (0.48) QDPRSIGMAR1KDM4EALDH1A1LMNA
SCHEMBL310018 0.80 SUV39H2 (0.47) QDPRSIGMAR1ALDH1A1LMNACHEK1
SCHEMBL310961 0.80 ALDH1A1 (0.44) QDPRSIGMAR1KDM4EALDH1A1LMNA
SCHEMBL2228100 0.79 QDPR (0.57) QDPRKDM4EALDH1A1LMNACHEK1
SCHEMBL2228095 0.79 QDPR (0.57) QDPRKDM4EALDH1A1LMNACHEK1
SCHEMBL17197300 0.79 QDPR (0.69) CDK9CCNT1QDPRALDH1A1LMNA

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 CDK9 815/4885CCNT1 72/4885QDPR 807/4885

“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.