SCHEMBL1316573

SCHEMBL1316573

C1CN2C(=N1)N1CCN=C1N1CCN=C21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 4/20 0.34
DNMT1 P26358 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL565222 0.38 CYP1A2 (0.47) GAAGFERALDH1A1KMT2A
SCHEMBL1069 0.38
SCHEMBL5127 0.36
SCHEMBL14938 0.33
SCHEMBL898958 0.30
Methane SCHEMBL23044967 0.27
SCHEMBL7658668 0.27
SCHEMBL3723878 0.27
SCHEMBL1261076 0.27
SCHEMBL10896230 0.27

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
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US claimed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
US-8623854-B2 Nuclear export inhibitors of topoisomerase II alpha H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-8623854-B2 Nuclear export inhibitors of topoisomerase II alpha H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-8623854-B2 Nuclear export inhibitors of topoisomerase II alpha H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20110275581-A1 NUCLEAR EXPORT INHIBITORS OF TOPOISOMERASE II ALPHA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-11-10 US disclosed
US-20110275581-A1 NUCLEAR EXPORT INHIBITORS OF TOPOISOMERASE II ALPHA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-11-10 US disclosed
US-20110275581-A1 NUCLEAR EXPORT INHIBITORS OF TOPOISOMERASE II ALPHA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-11-10 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-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, IAPP, CD74 NOS1 1077/4885SIGMAR1 4447/4885GAA 180/4885
US-20110275581-A1 NUCLEAR EXPORT INHIBITORS OF TOPOISOMERASE II ALPHA TOP2A, TOP1, XPOT NOS1 1394/4885SIGMAR1 3322/4885GAA 2030/4885
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 NOS1 1434/4885SIGMAR1 1879/4885GAA 4074/4885

“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.