SCHEMBL519919

SCHEMBL519919

COc1c(N)cccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
HRH4 Q9H3N8 4/20 0.52
POLB P06746 2/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.50
CBX7 O95931 2/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL13479500 0.84 HTT (0.56) ALDH1A1LMNAPOLBHTTHPGD
SCHEMBL14511721 0.84 ALDH1A1 (0.62) ALDH1A1LMNAPOLBHTTGAA
SCHEMBL10522334 0.82 L3MBTL1 (0.56) ALDH1A1LMNAHRH4POLBHTT
SCHEMBL24510724 0.82 ALDH1A1 (0.52) ALDH1A1LMNAPOLBHTTL3MBTL1
SCHEMBL2033421 0.82 L3MBTL1 (0.64) ALDH1A1LMNAHRH4POLBHTT
SCHEMBL14100520 0.81 L3MBTL1 (0.59) ALDH1A1LMNAPOLBHTTL3MBTL1
SCHEMBL3881407 0.81 L3MBTL1 (0.55) ALDH1A1LMNAHRH4POLBL3MBTL1
SCHEMBL2378330 0.81 L3MBTL1 (0.55) ALDH1A1LMNAHRH4POLBHTT
SCHEMBL16982493 0.81 TP53 (0.48) ALDH1A1LMNAHRH4POLBL3MBTL1
SCHEMBL14511327 0.79 ALDH1A1 (0.46) ALDH1A1LMNAPOLBHTTHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624126-A Selective tyrosine kinase 2 (TYK 2) inhibitor compound, synthesis method and application 中国药科大学 2024-03-01 CN disclosed
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 ALDH1A1 779/4885LMNA 3783/4885HRH4 657/4885

“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.