SCHEMBL10054979

SCHEMBL10054979

c1cc(CNC2=NCCN2)ccc1CNC1=NCCN1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.69
ADRA2A P08913 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
CXCR4 P61073 3/20 0.55
APOBEC3A P31941 2/20 0.52
APOBEC3G Q9HC16 2/20 0.52
MLLT1 Q03111 1/20 0.51
WDR5 P61964 7/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
NLRP3 Q96P20 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
SCHEMBL4032956 0.93 PTGIR (0.62) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL17186490 0.91 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL4035161 0.91 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL10800812 0.91 PTGIR (0.83) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL3169468 0.91 PTGIR (0.60) PTGIRADRA2AADRA2BADRA2CCXCR4
Hydrochloric Acid SCHEMBL18605409 0.90 PTGIR (0.59) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL14599597 0.87 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL28904914 0.87 PTGIR (0.64) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL7430405 0.84 MLLT1 (0.56) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL8152769 0.84 WDR5 (0.69) PTGIRWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2021-12-30 US disclosed
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
US-20190322633-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE BLAINE, THEODORE A. 2019-10-24 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
WO-2013070660-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2013-05-16 WO disclosed
WO-2012112919-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE RHODE ISLAND HOSTPITAL (US) 2012-08-23 WO disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 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 (8 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-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS PTGIR 375/4885ADRA2A 1357/4885ADRA2B 1563/4885
US-20190322633-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE CXCL12, CXCR4, SDF4 PTGIR 611/4885ADRA2A 505/4885ADRA2B 316/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS PTGIR 375/4885ADRA2A 1357/4885ADRA2B 1563/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 PTGIR 170/4885ADRA2A 628/4885ADRA2B 746/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS PTGIR 375/4885ADRA2A 1357/4885ADRA2B 1563/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS PTGIR 375/4885ADRA2A 1357/4885ADRA2B 1563/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 PTGIR 170/4885ADRA2A 628/4885ADRA2B 746/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS PTGIR 375/4885ADRA2A 1357/4885ADRA2B 1563/4885

“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.