SCHEMBL4064660

SCHEMBL4064660

O=Cc1ccc(CNc2ccccn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.74
FABP1 P07148 1/20 0.67
FABP6 P51161 1/20 0.67
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
NOS1 P29475 1/20 0.52
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HIF1A Q16665 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
SCHEMBL589266 0.86 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29351380 0.86 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL4066965 0.83 MEN1 (0.50) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL28075755 0.81 CXCR4 (0.70) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL10055030 0.81 CXCR4 (0.89) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL2230559 0.81 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29664808 0.81 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
Hydrochloric Acid SCHEMBL4696844 0.79 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL27585010 0.79 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Fluoride SCHEMBL28270594 0.79 FABP1 (0.96) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (4 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CXCR4 2591/4885FABP1 4773/4885FABP6 4170/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CXCR4 7/4885FABP1 838/4885FABP6 797/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CXCR4 1/4885FABP1 972/4885FABP6 1242/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CXCR4 7/4885FABP1 838/4885FABP6 797/4885

“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.