SCHEMBL8235408

SCHEMBL8235408

c1cc2nc(c1)CNCCNCCNCCNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.56
APEX1 P27695 1/20 0.41
TERT O14746 2/20 0.41
ADRB1 P08588 3/20 0.39
HTR2A P28223 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
NCF1 P14598 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR7 P34969 1/20 0.39
MTOR P42345 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL1673295 1.00 CXCR4 (0.56) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL29520740 1.00 CXCR4 (0.56) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL9207672 0.97 CXCR4 (0.58) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL20837979 0.91 CXCR4 (0.53) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL29418138 0.88 CXCR4 (0.51) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL13495066 0.87 CXCR4 (0.52) CXCR4ADRB1HTR2AHTR3EHTR3B
SCHEMBL31649015 0.86 CXCR4 (0.53) CXCR4ADRB1HTR2AHTR3EHTR3B
SCHEMBL14206482 0.82 CXCR4 (0.50) CXCR4APEX1ADRB1HTR2AHTR2C
SCHEMBL8260287 0.82 CXCR4 (0.43) CXCR4APEX1TERTADRB1HTR2A
SCHEMBL18312432 0.81 CXCR4 (0.49) CXCR4APEX1HTR2CKDM4ELMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008031-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2021-01-14 US disclosed
US-20190328704-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2019-10-31 US disclosed
US-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) BROCK UNIVERSITY (CA) 2019-08-13 US disclosed
US-10350193-B2 Super-oxide dismutase mimetics GALERA LABS, LLC (US) 2019-07-16 US disclosed
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) BROCK UNIVERSITY (CA) 2016-12-15 US disclosed
US-20160263085-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2016-09-15 US disclosed
US-9353069-B2 Super-oxide dismutase mimetics GALERA LABS, LLC (US) 2016-05-31 US disclosed
US-8486928-B2 Super-oxide dismutase mimetics GALERA THERAPEUTICS (US) 2013-07-16 US disclosed
US-20100256178-A1 SUPER-OXIDE DISMUTASE MIMETICS GALERA LABS, LLC 2010-10-07 US disclosed
US-20090131377-A1 Combinations of Superoxide Dismutase Mimetics and Nonsteroidal Analgesic/Anti-Inflammatory Drugs METAPHORE PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7445641-B1 Biomaterials modified with superoxide dismutase mimics PHARMACIA CORPORATION (US) 2008-11-04 US disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 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 (9 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-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease SOD1, MPO, SOD3 CXCR4 1255/4885APEX1 1385/4885TERT 404/4885
US-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) PPIP5K2, FABP7, MPI CXCR4 2022/4885APEX1 3634/4885TERT 3794/4885
US-20190328704-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT CXCR4 4819/4885APEX1 110/4885TERT 669/4885
US-10350193-B2 Super-oxide dismutase mimetics SOD1, SOD3, CAT CXCR4 4812/4885APEX1 109/4885TERT 649/4885
US-20100256178-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT CXCR4 4812/4885APEX1 109/4885TERT 649/4885
US-20090131377-A1 Combinations of Superoxide Dismutase Mimetics and Nonsteroidal Analgesic/Anti-Inflammatory Drugs SOD1, SOD3, CAT CXCR4 3758/4885APEX1 849/4885TERT 3208/4885
US-20160263085-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT CXCR4 4812/4885APEX1 109/4885TERT 649/4885
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) PPIP5K2, FABP7, MPI CXCR4 2022/4885APEX1 3634/4885TERT 3794/4885
US-20210008031-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT CXCR4 4819/4885APEX1 110/4885TERT 669/4885

“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.