SCHEMBL3672272

SCHEMBL3672272

N=C(N)NCc1ccc(CNC(=N)N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TPSAB1 Q15661 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PRSS1 P07477 1/20 0.42
NOS1 P29475 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 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
SCHEMBL6881703 0.91 CYP2C9 (0.42) CYP2C9CYP2C19TPSAB1MEN1KMT2A
SCHEMBL4103299 0.91 ABAT (0.44) CYP2C9CYP2C19MEN1KMT2AALOX12
SCHEMBL14686209 0.91 TPSAB1 (0.59) CYP2C9CYP2C19TPSAB1PRSS1NOS1
SCHEMBL6881708 0.91 EPHX2 (0.45) CYP2C9CYP2C19TPSAB1PRSS1NOS1
SCHEMBL4015337 0.89 PLA2G1B (0.59) KMT2APOLBPLA2G1BATG4BALDH1A1
SCHEMBL11981491 0.89 IDO1 (0.52) CYP2C9CYP2C19MEN1KMT2AALOX12
SCHEMBL4100287 0.89 IDO1 (0.52) MEN1KMT2APOLBGAAMAPT
SCHEMBL18401332 0.89 CYP2C9 (0.41) CYP2C9CYP2C19TPSAB1MEN1KMT2A
SCHEMBL4018773 0.89 CYP2C9 (0.66) CYP2C9CYP2C19MEN1KMT2AALOX12
SCHEMBL16181585 0.89 NOS1 (0.52) CYP2C9CYP2C19TPSAB1MEN1KMT2A

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 24 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-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
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-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-9205085-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2015-12-08 US disclosed
US-20140206629-A1 Stromal Derived Factor Inhibition And CXCR4 Blockade RHODE ISLAND HOSPITAL (US) 2014-07-24 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
EP-2139461-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER Recepticon Aps (DK) 2010-01-06 EP disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
WO-2008113364-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER RECEPTICON APS (DK) 2008-09-25 WO disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO 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 (10 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-20140206629-A1 Stromal Derived Factor Inhibition And CXCR4 Blockade CXCL12, CXCR4, SDF4 CYP2C9 4745/4885CYP2C19 4580/4885TPSAB1 127/4885
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS CYP2C9 1764/4885CYP2C19 838/4885TPSAB1 1073/4885
US-20190322633-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE CXCL12, CXCR4, SDF4 CYP2C9 4745/4885CYP2C19 4580/4885TPSAB1 127/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CYP2C9 1764/4885CYP2C19 838/4885TPSAB1 1073/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 CYP2C9 4879/4885CYP2C19 4779/4885TPSAB1 894/4885
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 CYP2C9 4797/4885CYP2C19 4823/4885TPSAB1 1794/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS CYP2C9 1764/4885CYP2C19 838/4885TPSAB1 1073/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CYP2C9 1764/4885CYP2C19 838/4885TPSAB1 1073/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 CYP2C9 4879/4885CYP2C19 4779/4885TPSAB1 894/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS CYP2C9 1764/4885CYP2C19 838/4885TPSAB1 1073/4885

“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.