SCHEMBL589266

SCHEMBL589266

c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 1.00
FABP1 P07148 1/20 0.88
FABP6 P51161 1/20 0.88
KDM4E B2RXH2 1/20 0.82
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
GAA P10253 1/20 0.74
TP53 P04637 1/20 0.74
TSHR P16473 1/20 0.74
NOS1 P29475 1/20 0.64
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CYP1A2 P05177 1/20 0.53
NOS2 P35228 1/20 0.53
CYP2C19 P33261 1/20 0.52

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
SCHEMBL29351380 1.00 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL10055030 0.94 CXCR4 (0.89) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29664808 0.94 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL2230559 0.94 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
Hydrochloric Acid SCHEMBL4696844 0.92 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL27585010 0.92 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Fluoride SCHEMBL28270594 0.92 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL7567775 0.91 CXCR4 (0.82) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL4064838 0.91 CXCR4 (0.82) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL5025381 0.91 CXCR4 (0.82) CXCR4FABP1FABP6KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202445-A2 CXCR4 INHIBITOR COMPOUND IN THE TREATMENT AND/OR THE PREVENTION OF SEVERE ARDS 4LIVING BIOTECH (FR) 2025-10-02 WO 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-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-11285151-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2022-03-29 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-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-10813911-B2 Methods of treating and/or preventing chronic obstructive pulmonary disease UNIV BORDEAUX (FR) 2020-10-27 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-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
EP-1838321-A4 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION UNIV EMORY (US) 2009-03-18 EP disclosed
EP-1838320-A4 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2009-03-18 EP disclosed
EP-1838321-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION EMORY UNIVERSITY (US) 2007-10-03 EP disclosed
EP-1838320-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2007-10-03 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
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20060264451-A1 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY 2006-11-23 US disclosed
WO-2006074428-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2006-07-13 WO disclosed
WO-2006074426-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION EMORY UNIVERSITY (US) 2006-07-13 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 (6 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 CXCR4 4766/4885FABP1 489/4885FABP6 19/4885
US-20060264451-A1 CXCR4 antagonists for the treatment of HIV infection CXCR4, CXCL12, CCR5 CXCR4 1/4885FABP1 1694/4885FABP6 1944/4885
US-11285151-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CXCR4 4766/4885FABP1 489/4885FABP6 19/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CXCR4 4766/4885FABP1 489/4885FABP6 19/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 CXCR4 1/4885FABP1 552/4885FABP6 741/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CXCR4 4766/4885FABP1 489/4885FABP6 19/4885

“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.