SCHEMBL3314110

SCHEMBL3314110

c1ccc(CNCc2ccc(CNCc3ccccn3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
ALDH1A1 P00352 3/20 0.62
CHRM2 P08172 1/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CXCR4 P61073 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.51
CA2 P00918 1/20 0.51
TP53 P04637 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
POLB P06746 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
SCHEMBL29860055 1.00 L3MBTL1 (0.62) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL2947235 0.94 ALDH1A1 (0.63) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL230222 0.91 CHRM2 (0.70) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL29438821 0.91 CHRM2 (0.70) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL5892980 0.91 NPC1 (0.55) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL3906840 0.91 ALDH1A1 (0.55) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL12963429 0.91 RAB9A (0.57) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL19416501 0.91 TP53 (0.61) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL3316286 0.91 L3MBTL1 (0.55) L3MBTL1ALDH1A1CHRM2MEN1KMT2A
SCHEMBL8346148 0.91 L3MBTL1 (0.55) L3MBTL1ALDH1A1CHRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003524620-A 2003-08-19 JP claimed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP claimed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 WO claimed
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
EP-4143302-A1 METHODS AND COMPOSITIONS FOR TRANSDUCING HEMATOPOIETIC STEM AND PROGENITOR CELLS IN VIVO Magenta Therapeutics, Inc. (US) 2023-03-08 EP 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
WO-2021222313-A1 METHODS AND COMPOSITIONS FOR TRANSDUCING HEMATOPOIETIC STEM AND PROGENITOR CELLS IN VIVO Magenta Therapeutics, Inc. (US) 2021-11-04 WO disclosed
EP-3720494-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2020-10-14 EP 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
WO-2019113375-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2019-06-13 WO 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
WO-2007106063-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION (US) 2007-09-20 WO disclosed
EP-1796716-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2007-06-20 EP 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
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 WO disclosed
EP-1411918-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2004-04-28 EP disclosed
WO-2003011277-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2003-02-13 WO disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 WO 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 (5 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 L3MBTL1 2706/4885ALDH1A1 3626/4885CHRM2 1502/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS L3MBTL1 2706/4885ALDH1A1 3626/4885CHRM2 1502/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 L3MBTL1 1582/4885ALDH1A1 1269/4885CHRM2 2020/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS L3MBTL1 2706/4885ALDH1A1 3626/4885CHRM2 1502/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS L3MBTL1 2706/4885ALDH1A1 3626/4885CHRM2 1502/4885

“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.