SCHEMBL10054969

SCHEMBL10054969

c1ccc(NCc2cccc(CNc3ccccn3)c2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.79
FABP6 P51161 1/20 0.79
CXCR4 P61073 1/20 0.75
KDM4E B2RXH2 1/20 0.64
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
NOS2 P35228 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NOS1 P29475 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL6301782 0.92 FABP1 (0.67) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL6564767 0.92 FABP1 (0.67) FABP1FABP6CXCR4KDM4ENPC1
Hydrochloric Acid SCHEMBL6302644 0.90 FABP1 (0.65) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL2230559 0.88 FABP1 (1.00) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL29664808 0.88 FABP1 (1.00) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL23938199 0.88 KDM4E (0.69) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL11573094 0.88 FABP1 (0.67) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL4718827 0.88 FABP1 (0.67) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL29580072 0.88 FABP1 (0.67) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL29580199 0.88 KDM4E (0.69) FABP1FABP6CXCR4KDM4ENPC1

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 29 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-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-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-8080659-B2 CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders EMORY UNIVERSITY (US) 2011-12-20 US disclosed
US-8080659-B2 CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders EMORY UNIVERSITY (US) 2011-12-20 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-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
WO-2008008854-A9 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2008-03-27 WO disclosed
WO-2008008854-A2 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2008-01-17 WO 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 FABP1 489/4885FABP6 19/4885CXCR4 4766/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FABP1 489/4885FABP6 19/4885CXCR4 4766/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 FABP1 552/4885FABP6 741/4885CXCR4 1/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FABP1 489/4885FABP6 19/4885CXCR4 4766/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FABP1 489/4885FABP6 19/4885CXCR4 4766/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 FABP1 552/4885FABP6 741/4885CXCR4 1/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FABP1 489/4885FABP6 19/4885CXCR4 4766/4885
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders CXCR4, CXCL12, CCR5 FABP1 1533/4885FABP6 2068/4885CXCR4 1/4885

“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.