SCHEMBL521798

SCHEMBL521798

COc1cc(N2CCCC(N3CCN(CCO)CC3)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
PLK1 P53350 1/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 2/20 0.39
HTR4 Q13639 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL519637 0.87 NPC1 (0.42) MEN1KMT2AEGFRGAAKDM4E
SCHEMBL11333631 0.85 NPC1 (0.45) MEN1KMT2AGAAALDH1A1
SCHEMBL521436 0.85 EGFR (0.43) KMT2APLK1EGFRHTR4ALDH1A1
SCHEMBL520525 0.85 L3MBTL3 (0.46) PLK1EGFR
SCHEMBL521267 0.83 ALDH1A1 (0.56) KMT2APLK1EGFRGAAKDM4E
SCHEMBL14180538 0.82 TLR9 (0.48) GAAHTR4ALDH1A1
SCHEMBL519347 0.82 SHMT2 (0.44) MEN1KMT2AALDH1A1
SCHEMBL2234370 0.82 GAA (0.47) GAAHTR4
SCHEMBL521060 0.81 CHEK1 (0.44) MEN1KMT2AGAAALDH1A1
SCHEMBL519768 0.81 NPC1 (0.49) GAAKDM4EALDH1A1

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 MEN1 3470/4885KMT2A 114/4885SIGMAR1 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.