SCHEMBL2325818

SCHEMBL2325818

O=C(O)c1cn2c(n1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 7/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
ROCK1 Q13464 1/20 0.39
GFER P55789 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
SCHEMBL27894417 0.98 WDR5 (0.47) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL870351 0.95 HDAC1 (0.45) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL871726 0.93 ALDH1A1 (0.45) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14701710 0.84 WDR5 (0.50) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16793684 0.80 WDR5 (0.47) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11097275 0.79 WDR5 (0.46) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8811741 0.79 WDR5 (0.46) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4090031 0.79 HDAC1 (0.50) WDR5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18377471 0.78 HDAC1 (0.50) WDR5ALDH1A1NPC1RAB9ATP53
SCHEMBL12443590 0.76 HPGD (0.60) WDR5ALDH1A1NPC1RAB9ATP53

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
CN-101189228-A Bicyclic [3.1.0] heteroaryl amides as type I glycine transport inhibitors PFIZER PROD INC (US) 2008-05-28 CN claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 US disclosed
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 US disclosed
CN-111867584-A Ethylenediamine-heterocyclic derivatives as inhibitors of protein arginine methyltransferase 德州大学系统董事会 2020-10-30 CN disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
EP-2534170-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2012-12-19 EP disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 WO disclosed
CN-101189228-A Bicyclic [3.1.0] heteroaryl amides as type I glycine transport inhibitors PFIZER PROD INC (US) 2008-05-28 CN 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 WDR5 764/4885ALDH1A1 4122/4885NPC1 818/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN WDR5 1483/4885ALDH1A1 4256/4885NPC1 3802/4885
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, PRKAR2B, MAP3K13 WDR5 4026/4885ALDH1A1 4034/4885NPC1 2364/4885

“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.