SCHEMBL521516

SCHEMBL521516

O=C(ON1CCNCC1c1cccc([N+](=O)[O-])c1)C(=O)ON1CCNCC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL522461 0.85 ADRB1 (0.43) KDM4EALDH1A1MAPT
SCHEMBL27785721 0.77 LMNA (0.43) LMNAMEN1KMT2ACACNA1FADORA3
SCHEMBL20557287 0.69 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL521515 0.68 LMNA (0.43) LMNAMEN1KMT2ACACNA1FADORA3
SCHEMBL1638080 0.68 LMNA (0.48) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL23123610 0.68 CHRNB4 (0.59) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL28063655 0.67 RIPK1 (0.48) MAPT
SCHEMBL5058415 0.66 DRD2 (0.59) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11824168 0.66 HTR2C (0.54) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL14856667 0.65 MAPT (0.42) LMNAMEN1KMT2AALDH1A1HTT

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 LMNA 3783/4885MEN1 3470/4885KMT2A 114/4885

“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.

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