SCHEMBL520154

SCHEMBL520154

Nc1ccc(N2CCCC(N3CCOCC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.52
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ROCK2 O75116 1/20 0.42

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
SCHEMBL2483651 0.88 MAPT (0.48) MAP4K4MAPTALDH1A1KMT2AGAA
SCHEMBL12006588 0.86 HRH3 (0.52) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL12005460 0.86 HRH3 (0.52) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL12005958 0.86 HRH3 (0.52) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL23104151 0.85 MAP4K4 (0.53) MAP4K4MAPTALDH1A1KMT2AGAA
SCHEMBL521150 0.84 KDM4E (0.56) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL15551984 0.82 SOS1 (0.41) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL15551986 0.82 SOS1 (0.41) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL12006223 0.81 L3MBTL1 (0.51) MAP4K4MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL5202381 0.81 L3MBTL3 (0.65) MAPTL3MBTL1ALDH1A1KMT2AGAA

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 MAP4K4 325/4885MAPT 3109/4885L3MBTL1 2484/4885

“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.