SCHEMBL10055017

SCHEMBL10055017

COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.52
DYRK1A Q13627 5/20 0.52
CLK1 P49759 4/20 0.52
DYRK1B Q9Y463 3/20 0.52
CLK2 P49760 2/20 0.52
HTT P42858 1/20 0.50
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL18434511 0.92 HTT (0.55) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL10055031 0.92 SMN1; SMN2 (0.49) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL5622348 0.92 HTT (0.61) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14272989 0.88 HDAC1 (0.51) CLK4DYRK1ACLK1DYRK1BCLK2
Sulfuric Acid SCHEMBL28646821 0.84 HTT (0.53) CLK4HTT
SCHEMBL28860465 0.84 MKNK1 (0.42) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL5175713 0.82 HDAC1 (0.42) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14516259 0.81 CYP1A2 (0.45)
SCHEMBL13879822 0.79 HTT (0.68) HTT
SCHEMBL28020340 0.79 MKNK1 (0.50) CLK4CLK2MAPK9

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 18 patents. 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-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-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US 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-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
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 CLK4 2550/4885DYRK1A 3022/4885CLK1 2897/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CLK4 2550/4885DYRK1A 3022/4885CLK1 2897/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 CLK4 3121/4885DYRK1A 2737/4885CLK1 2349/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS CLK4 2550/4885DYRK1A 3022/4885CLK1 2897/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CLK4 2550/4885DYRK1A 3022/4885CLK1 2897/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 CLK4 3121/4885DYRK1A 2737/4885CLK1 2349/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 CLK4 3121/4885DYRK1A 2737/4885CLK1 2349/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS CLK4 2550/4885DYRK1A 3022/4885CLK1 2897/4885

“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.