SCHEMBL520138

SCHEMBL520138

CN1CCN(Cc2cccc(N)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.49
LMNA P02545 1/20 0.49
MC4R P32245 1/20 0.47
APP P05067 1/20 0.46
BACE1 P56817 1/20 0.46
NOS3 P29474 4/20 0.46
NOS1 P29475 4/20 0.46
NOS2 P35228 4/20 0.46
HRH4 Q9H3N8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
CHKA P35790 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL30323744 1.00 CXCR4 (0.49) CXCR4LMNAMC4RAPPBACE1
SCHEMBL13833160 0.91 CXCR4 (0.56) CXCR4APPBACE1NOS3NOS1
SCHEMBL22205248 0.88 CXCR4 (0.61) CXCR4LMNAMC4RHRH4KDM4E
SCHEMBL22650478 0.87 CXCR4 (0.49) CXCR4APPBACE1NOS3NOS1
Hydrochloric Acid SCHEMBL29604571 0.86 CXCR4 (0.59) CXCR4LMNAMC4RHRH4KDM4E
Bromide SCHEMBL29604007 0.86 CXCR4 (0.59) CXCR4LMNAMC4RHRH4KDM4E
SCHEMBL465821 0.84 CXCR4 (0.53) CXCR4APPBACE1NOS3NOS1
SCHEMBL5342190 0.83 CXCR4 (0.51) CXCR4APPBACE1KDM4EPRMT6
Hydrochloric Acid SCHEMBL2149315 0.83 CXCR4 (0.51) CXCR4APPBACE1NOS3NOS1
SCHEMBL14881459 0.83 CXCR4 (0.45) CXCR4APPBACE1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845402-B Pyridine methylene piperazine derivatives and uses thereof 广东东阳光药业有限公司 2023-05-09 CN disclosed
CN-110845402-A Pyridylmethylenepiperazine derivatives and uses thereof 广东东阳光药业有限公司 2020-02-28 CN disclosed
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
EP-2763976-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO 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 (2 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CXCR4 1684/4885LMNA 4453/4885MC4R 3157/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CXCR4 2079/4885LMNA 3783/4885MC4R 1079/4885

“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.