SCHEMBL519307

SCHEMBL519307

COC(=O)c1cc2ccccc2n1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
KMT2A Q03164 2/20 0.48
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
DAO P14920 1/20 0.45
MAPT P10636 1/20 0.45
SLC9A1 P19634 1/20 0.44
TSHR P16473 1/20 0.42
NOD2 Q9HC29 2/20 0.41
NOD1 Q9Y239 2/20 0.41
MEN1 O00255 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL18058612 0.85 DAO (0.46) MTNR1AMTNR1BKMT2AMCL1ALDH1A1
SCHEMBL31070155 0.83 KDM4E (0.46) KMT2AMCL1L3MBTL1ALDH1A1KDM4E
SCHEMBL1585615 0.83 NOD2 (0.60) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL7884242 0.81 DAO (0.64) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL4740170 0.81 MTNR1A (0.53) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL4486403 0.81 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL29834903 0.81 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL7873282 0.80 MTNR1A (0.56) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL2662561 0.80 MCL1 (0.47) KMT2AMCL1ALDH1A1KDM4EDAO
SCHEMBL27770675 0.80 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515601-A Preparation method of anti-tumor isoindolinone compound 华东理工大学 2024-08-20 CN disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP 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-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US 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
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US 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 (3 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C MTNR1A 4358/4885MTNR1B 4163/4885KMT2A 1540/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C MTNR1A 4358/4885MTNR1B 4163/4885KMT2A 1540/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MTNR1A 3659/4885MTNR1B 2704/4885KMT2A 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.